SCHEMBL7897707

SCHEMBL7897707

Cc1ccccc1-c1cc(CBr)ccc1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 3/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TACR1 P25103 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
AKR1B1 P15121 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
SRC P12931 1/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11899242 0.81 PTGS1 (0.50) FFAR1FFAR4PTGS1PTGS2PPARG
SCHEMBL11305549 0.80 RXRA (0.49) PTGS1CES2CES1SRCLMNA
SCHEMBL9447453 0.80 PTGS2 (0.54) FFAR1FFAR4PTGS1PTGS2PTGER1
SCHEMBL27909816 0.80 THRA (0.44) FFAR1FFAR4PTGS2LMNAGAA
SCHEMBL630063 0.79 MYC (0.49) PPARGPPARATACR1CES2CES1
SCHEMBL3233824 0.79 FOLH1 (0.55) FFAR1PPARGPPARATACR1CES2
SCHEMBL6781504 0.77 SRC (0.47) FFAR1FFAR4PTGS1PTGS2PPARG
SCHEMBL7915079 0.76 FFAR1 (0.38) FFAR1FFAR4PTGS1PTGS2PPARG
SCHEMBL7918187 0.76 PTGDR2 (0.45) FFAR1FFAR4PTGS1PTGS2LMNA
SCHEMBL175541 0.74 PTGS1 (0.50) FFAR1FFAR4PTGS1PTGS2CES2

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
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed