SCHEMBL7300705

SCHEMBL7300705

O=CCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.64
EPHX2 P34913 1/20 0.64
BCHE P06276 4/20 0.61
FFAR1 O14842 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
MGLL Q99685 2/20 0.57
ALOX5 P09917 1/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7867586 0.95 BCHE (0.62) LTA4HEPHX2BCHEFFAR1FFAR4
SCHEMBL2772725 0.90 FFAR1 (0.61) LTA4HEPHX2BCHEFFAR1FFAR4
SCHEMBL11464931 0.89 FFAR1 (0.59) LTA4HEPHX2BCHEFFAR1FFAR4
SCHEMBL9614962 0.84 LTA4H (0.45) LTA4HEPHX2BCHEFFAR1FFAR4
SCHEMBL1171784 0.84 MGLL (0.57) BCHEMGLLLMNACYP1A2PTGS1
SCHEMBL12040562 0.83 LTA4H (0.77) LTA4HEPHX2BCHEFFAR1FFAR4
SCHEMBL12630258 0.83 LTA4H (0.77) LTA4HEPHX2BCHEFFAR1FFAR4
SCHEMBL66826 0.82 SIGMAR1 (0.54) SLC6A3HDAC6MAOB
SCHEMBL949911 0.82 FFAR1 (0.62) LTA4HEPHX2FFAR1MAOB
SCHEMBL30765734 0.81 FFAR1 (0.54) LTA4HEPHX2FFAR1FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874601-A Process of protecting a 1,2-aminoalcohol for reductive amination coupling ABBOTT LABORATORIES (US) 1999-02-23 US claimed
EP-0888282-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING Abbott Laboratories (US) 1999-01-07 EP claimed
EP-0658538-B1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA INC (US) 1997-10-29 EP claimed
WO-1997033857-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING ABBOTT LABORATORIES (US) 1997-09-18 WO claimed
EP-0873293-B1 IMPROVED PROCESS FOR THE PREPARATION OF ALKYL OR ARYL ALDEHYDE INTERMEDIATES ABBOTT LAB (US) 2001-07-25 EP disclosed
US-5874601-A Process of protecting a 1,2-aminoalcohol for reductive amination coupling ABBOTT LABORATORIES (US) 1999-02-23 US disclosed
EP-0888282-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING Abbott Laboratories (US) 1999-01-07 EP disclosed
EP-0873293-A1 IMPROVED PROCESS FOR THE PREPARATION OF ALKYL OR ARYL ALDEHYDE INTERMEDIATES Abbott Laboratories (US) 1998-10-28 EP disclosed
EP-0658538-B1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA INC (US) 1997-10-29 EP disclosed
WO-1997033857-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING ABBOTT LABORATORIES (US) 1997-09-18 WO disclosed
WO-1997023439-A1 IMPROVED PROCESS FOR THE PREPARATION OF ALKYL OR ARYL ALDEHYDE INTERMEDIATES ABBOTT LABORATORIES (US) 1997-07-03 WO disclosed
EP-0329464-B1 System for the closed-loop administration of an exercise simulating agent GENSIA INC (US) 1995-11-02 EP disclosed
US-5234404-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1993-08-10 US disclosed
EP-0512065-A4 APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER 1992-12-30 EP disclosed
EP-0512065-A1 APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER GENSIA PHARMACEUTICALS, INC. (US) 1992-11-11 EP disclosed
US-5108363-A DIAGNOSIS, EVALUATION AND TREATMENT OF CORONARY ARTERY DISEASE BY EXERCISE SIMULATION USING CLOSED LOOP DRUG DELIVERY OF AN EXERCISE SIMULATING AGENT BETA AGONIST GENSIA PHARMACEUTICALS, INC. (US) 1992-04-28 US disclosed
WO-1991011215-A1 APPARATUS AND METHOD FOR IONTOPHORETIC TRANSFER GENSIA PHARMACEUTICALS, INC. (US) 1991-08-08 WO disclosed
EP-0329464-A2 System for the closed-loop administration of an exercise simulating agent GENSIA, INC. (US) 1989-08-23 EP disclosed
US-4262013-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-14 US disclosed
US-4198425-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1980-04-15 US disclosed