SCHEMBL7869070

SCHEMBL7869070

CCCCN(CCc1ccccc1)Cc1ccc(C(=O)O)c(-c2ccccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
LTB4R2 Q9NPC1 4/20 0.49
DRD2 P14416 3/20 0.46
OPRM1 P35372 3/20 0.46
DRD3 P35462 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
LPAR1 Q92633 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RARB P10826 1/20 0.42
BRS3 P32247 1/20 0.40

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
SCHEMBL7871098 0.90 FNTA (0.49) BCHEFNTAFNTBLTB4R2DRD2
SCHEMBL629682 0.83 FNTA (0.69) BCHEFNTAFNTBLTB4R2
SCHEMBL7869054 0.83 FNTA (0.45) FNTAFNTBLTB4R2L3MBTL1
SCHEMBL6626881 0.81 FNTA (0.77) FNTAFNTB
SCHEMBL6626875 0.81 FNTA (0.77) FNTAFNTB
SCHEMBL7870287 0.77 AGTR1 (0.44) FNTAFNTBLTB4R2
SCHEMBL630063 0.77 MYC (0.49) FNTAFNTBLTB4R2
SCHEMBL7870123 0.77 FNTA (0.41) FNTAFNTBLTB4R2LPAR1BRS3
SCHEMBL6627185 0.74 FNTA (0.83) FNTAFNTB
SCHEMBL6627187 0.74 FNTA (0.83) 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