SCHEMBL6432795

SCHEMBL6432795

NC(=S)c1cccc(Cn2c(C(=O)O)cc3cc(OCc4ccccc4)ccc32)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.68
SRD5A2 P31213 1/20 0.57
CCR2 P41597 3/20 0.56
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
PLA2G10 O15496 1/20 0.53
PPARG P37231 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
PLA2G4A P47712 1/20 0.49
PLA2G2A P14555 1/20 0.49
F2 P00734 1/20 0.48

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
SCHEMBL7430298 0.91 F10 (0.83) F10SRD5A2PLA2G10PPARGMRGPRX4
SCHEMBL6435781 0.90 F10 (0.82) F10SRD5A2CCR2LTB4RLTB4R2
SCHEMBL6432399 0.89 F10 (0.84) F10PPARGF2
SCHEMBL27497454 0.84 PLA2G10 (0.74) F10CCR2PLA2G10F2
SCHEMBL6433052 0.83 F10 (0.63) F10CCR2PLA2G10F2
SCHEMBL3967516 0.82 CCR2 (0.73) F10SRD5A2CCR2LTB4RLTB4R2
SCHEMBL6432803 0.81 CCR2 (0.70) F10SRD5A2CCR2LTB4RLTB4R2
Acetic Acid SCHEMBL7717345 0.79 F10 (0.95) F10PLA2G2AF2
Iodide SCHEMBL6432604 0.79 F10 (0.98) F10F2
SCHEMBL700511 0.78 SRD5A2 (0.73) F10SRD5A2CCR2LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed