SCHEMBL4670077

SCHEMBL4670077

C1#CC(c2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
KDM1A O60341 4/20 0.33
CYP2C19 P33261 4/20 0.33
CYP2B6 P20813 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2A6 P11509 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL1533239 0.87 ALDH1A1 (0.34) SLC18A3SIGMAR1TSHRGAACYP1A2
SCHEMBL8362511 0.85 MEN1 (0.38) SLC18A3SIGMAR1TSHRGAACYP1A2
SCHEMBL8358194 0.84 SLC18A3 (0.37) SLC18A3SIGMAR1TSHRGAACYP1A2
SCHEMBL8359813 0.84 SLC18A3 (0.37) SLC18A3SIGMAR1TSHRGAACYP1A2
SCHEMBL8356125 0.84 SLC18A3 (0.37) SLC18A3SIGMAR1TSHRGAACYP1A2
SCHEMBL8360449 0.84 SLC18A3 (0.37) SLC18A3SIGMAR1TSHRGAACYP1A2
SCHEMBL8360446 0.84 SLC18A3 (0.37) SLC18A3SIGMAR1TSHRGAACYP1A2
SCHEMBL2356297 0.78 HTR3A (0.37) LMNACYP2A6SLC6A2HTR2CADRA1A
SCHEMBL2359877 0.73 TSHR (0.39) SLC18A3SIGMAR1TSHRGAAMAPT
SCHEMBL14762408 0.67

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231683-B1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE THEREOF IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-23 EP claimed
EP-2231682-B1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE THEREOF IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES LLC (US) 2016-01-06 EP claimed
WO-2014064162-A1 NEPRILYSIN INHIBITORS PHARMALEADS (FR) 2014-05-01 WO claimed
EP-2242760-B1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES LLC (US) 2014-03-05 EP claimed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP claimed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 WO claimed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP claimed
EP-0559079-B1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR SA (CH) 1997-08-13 EP claimed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP claimed
WO-2014064162-A1 NEPRILYSIN INHIBITORS PHARMALEADS (FR) 2014-05-01 WO disclosed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP disclosed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 WO disclosed
US-5932642-A Cyclic phosphinic acid derivatives as stabilizers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
EP-0850946-A1 Cyclic phosphinic acid derivatives as stabilizers Ciba SC Holding AG (CH) 1998-07-01 EP disclosed