SCHEMBL7042369

SCHEMBL7042369

COC(=O)Cc1cc(OC)ccc1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.64
MTNR1B P49286 2/20 0.64
HSP90AA1 P07900 2/20 0.54
ALDH1A1 P00352 3/20 0.51
LTA4H P09960 1/20 0.47
GPR55 Q9Y2T6 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7041438 0.88 MTNR1A (0.64) MTNR1AMTNR1BHSP90AA1ALDH1A1LTA4H
SCHEMBL24051897 0.83 MTNR1A (0.49) MTNR1AMTNR1BHSP90AA1ALDH1A1LTA4H
SCHEMBL6643086 0.82 MTNR1A (0.64) MTNR1AMTNR1BHSP90AA1ALDH1A1LTA4H
SCHEMBL7116653 0.82 MTNR1A (0.62) MTNR1AMTNR1BHSP90AA1ALDH1A1LTA4H
SCHEMBL6179348 0.80 CAMK2A (0.54) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL20954700 0.80 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL12870781 0.79 ALDH1A1 (0.51) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL7043694 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL30046118 0.79 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL2436724 0.79 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1249745-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2000-04-05 CN 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