SCHEMBL7870123

SCHEMBL7870123

CCCCC(N(CCc1ccccc1)Cc1ccc(C(=O)O)c(-c2ccccc2C)c1)C(C)(S(=O)(=O)CC)S(=O)(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
LTB4R2 Q9NPC1 5/20 0.39
LPAR1 Q92633 2/20 0.36
BRS3 P32247 1/20 0.35

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
SCHEMBL7869070 0.77 BCHE (0.50) FNTAFNTBLTB4R2LPAR1BRS3
SCHEMBL7867499 0.70 BMP1 (0.47) FNTAFNTBLTB4R2
SCHEMBL7869068 0.69 ADRB1 (0.38) LTB4R2BRS3
SCHEMBL10192976 0.68 FNTA (0.51) FNTAFNTBLTB4R2BRS3
SCHEMBL7871098 0.68 FNTA (0.49) FNTAFNTBLTB4R2
SCHEMBL10193047 0.68 FNTA (0.54) FNTAFNTBBRS3
SCHEMBL6628777 0.67 FNTA (0.62) FNTAFNTB
SCHEMBL7870287 0.66 AGTR1 (0.44) FNTAFNTBLTB4R2
SCHEMBL629682 0.66 FNTA (0.69) FNTAFNTBLTB4R2
SCHEMBL6626875 0.66 FNTA (0.77) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed