SCHEMBL7915079

SCHEMBL7915079

Cc1ccccc1-c1cc(Cc2nnn[nH]2)ccc1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.38
FFAR4 Q5NUL3 1/20 0.36
BRS3 P32247 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SRD5A2 P31213 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL7897707 0.76 FFAR1 (0.43) FFAR1FFAR4PTGS1PTGS2GAA
SCHEMBL11899242 0.72 PTGS1 (0.50) FFAR1FFAR4PTGS1PTGS2KDM4E
SCHEMBL618714 0.71 CYP4F2 (0.41) MEN1KMT2ASRD5A2
SCHEMBL9447453 0.71 PTGS2 (0.54) FFAR1FFAR4PTGS1PTGS2KDM4E
SCHEMBL6781504 0.69 SRC (0.47) FFAR1FFAR4PTGS1PTGS2PPARG
SCHEMBL7918187 0.68 PTGDR2 (0.45) FFAR1FFAR4PTGS1PTGS2
SCHEMBL232998 0.68 NR1H2 (0.46) GAAKMT2A
SCHEMBL1247974 0.67 CYP2D6 (0.46) KMT2A
SCHEMBL5173931 0.66 NR1H2 (0.44) GAAKMT2A
SCHEMBL9978690 0.66 NR1H2 (0.44) GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed