SCHEMBL3728677

SCHEMBL3728677

COc1cccc(OC)c1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
FAAH O00519 1/20 0.48
CNR2 P34972 1/20 0.48
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CALM1 P0DP23 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HTR7 P34969 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL2093881 0.88 HTR1A (0.52) LTA4HHTR1AADRA1DADRA1AADRA1B
SCHEMBL18171347 0.87 TP53 (0.53) LTA4HCA1CA2FAAHCNR2
SCHEMBL27984159 0.87 ALDH1A1 (0.53) LTA4HCA12CA1CA2CA4
Water SCHEMBL28213281 0.85 TP53 (0.52) LTA4HCA1CA2FAAHCNR2
SCHEMBL6536167 0.84 ERN1 (0.53) LTA4HFAAHCNR2HTR1AADRA1D
SCHEMBL6299863 0.84 HSP90AA1 (0.50) LTA4HFAAHCNR2HTR1AADRA1D
SCHEMBL6300999 0.84 HSP90AA1 (0.50) LTA4HFAAHCNR2HTR1AADRA1D
SCHEMBL5250993 0.84 CA2 (0.55) CA12CA1CA2CA4CA7
SCHEMBL4814597 0.83 TUBB1 (0.42) LTA4HCA12CA1CA2CA4
SCHEMBL20767517 0.82 FAAH (0.43) LTA4HCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed
US-10233135-B2 Process for preparing perhydrofluorene or alkyl-substituted perhydrofluorene TIANJIN UNIVERSITY (CN) 2019-03-19 US disclosed
US-20190031576-A1 A Process for Preparing Perhydrofluorene or Alkyl-Substituted Perhydrofluorene TIANJIN UNIVERSITY (CN) 2019-01-31 US disclosed
US-7824715-B2 Perfume compositions QUEST INTERNATIONAL B. V. (NL) 2010-11-02 US disclosed
US-20080255024-A1 Mixture containing relaxing odors QUEST INTERNATIONAL B.V. 2008-10-16 US disclosed
EP-1343466-B1 PERFUME COMPOSITIONS QUEST INT SERV BV (NL) 2007-01-03 EP disclosed
US-20040063604-A1 Perfume compositions QUEST INTERNATIONAL B.V. (NL) 2004-04-01 US disclosed
US-6673813-B2 INHIBITING MEMBRANE TRANSPORT MEDIATED BY THE MULTIDRUG RESISTANCE ASSOCIATED PROTEIN MRP IN A PATIENT BY ADMINISTERING A COMPOUND HAVING AN AMPHIPHILIC ANION AND A MOLECULAR WEIGHT OF FROM 300 TO 950 DALTONS. JEDLITSCHKY GABRIELE (DE) 2004-01-06 US disclosed
EP-1343466-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 2003-09-17 EP disclosed
WO-2002049600-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 2002-06-27 WO disclosed
EP-1129707-A2 Methods for identifying and treating resistant tumors Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-09-05 EP disclosed
US-6235785-B1 DRUG RESISTANCE ELI LILLY AND COMPANY 2001-05-22 US disclosed
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
EP-0777472-A2 METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1997-06-11 EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5543428-A ADMINISTERING SUBSTITUTED PHENOXYALKYL COMPOUNDS TO REVERSE DRUG RESISTANCE ELI LILLY AND COMPANY (US) 1996-08-06 US disclosed
WO-1996006604-A2 METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-03-07 WO disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed