SCHEMBL7042372

SCHEMBL7042372

COC(=O)C(Cc1ccccc1)c1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.62
MTNR1B P49286 4/20 0.62
CASR P41180 1/20 0.53
GPR139 Q6DWJ6 1/20 0.52
POLB P06746 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL10202970 0.92 MTNR1A (0.55) MTNR1AMTNR1BCASRPOLBESR1
SCHEMBL7041441 0.89 MTNR1A (0.61) MTNR1AMTNR1BCASRGPR139CRHBP
SCHEMBL27555215 0.87 MTNR1A (0.63) MTNR1AMTNR1BCASRGPR139CRHBP
SCHEMBL8965432 0.87 MTNR1A (0.54) MTNR1AMTNR1BCASRGPR139POLB
SCHEMBL29609868 0.86 EPHX1 (0.65) MTNR1AMTNR1BCASRGPR139CRHBP
SCHEMBL28617579 0.86 EPHX1 (0.65) MTNR1AMTNR1BCASRGPR139CRHBP
SCHEMBL8912764 0.86 MTNR1A (0.58) MTNR1AMTNR1BCASRGPR139CRHBP
SCHEMBL1234209 0.85 ESR1 (0.68) MTNR1AMTNR1BPOLBESR1ESR2
SCHEMBL23494950 0.84 ESR1 (0.63) CASRESR1ESR2MEN1KMT2A
SCHEMBL29664636 0.83 MTNR1A (0.52) MTNR1AMTNR1BCASRKDM4E

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
CN-101506180-B Human protein tyrosine phosphatase inhibitors and methods of use PROCTER & GAMBLE 2013-10-30 CN disclosed
CN-101506180-A Human protein tyrosine phosphatase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN disclosed
EP-0977735-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-26 EP disclosed
CN-1099416-C Integrin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-01-22 CN disclosed
US-6191304-B1 REDUCTION OF AN ALKYL 3-ALKYLOXY-11-OXO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-10-ACETATE BY HYDROGENOLYSIS USING A PALLADIUM/ACTIVATED CARBON CATALYST; INTERMEDIATES FOR3-((4-AMINOPYRID-2-YL)AMINOALKYLENEOXY) DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
US-6069158-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0977735-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-04-05 EP disclosed
EP-0977735-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-09 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP disclosed
EP-0910563-A4 1999-04-28 EP disclosed
WO-1998030542-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO disclosed
CN-1186806-A Integrin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1998-07-08 CN disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO disclosed