SCHEMBL7904993

SCHEMBL7904993

CCCOc1cccc(COCc2ccc(C(=O)O)c(-c3ccccc3C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
PTPN11 Q06124 1/20 0.45
FFAR1 O14842 8/20 0.43
PPARD Q03181 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PLA2G4B P0C869 2/20 0.42
KAT6A Q92794 1/20 0.41
MEP1B Q16820 1/20 0.41
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 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
SCHEMBL7907180 0.90 FNTA (0.41) KMT2AFFAR1PPARDFFAR4PLA2G4B
SCHEMBL7897863 0.82 FFAR1 (0.47) FFAR1PPARDFFAR4
SCHEMBL7904559 0.82 MYC (0.43) FFAR1FFAR4RAB9AFNTAFNTB
SCHEMBL7906340 0.81 FNTA (0.68) FNTAFNTB
SCHEMBL7906344 0.81 FNTA (0.68) FNTAFNTB
SCHEMBL7905174 0.81 PPARG (0.40) FFAR1FFAR4RAB9AFNTAFNTB
SCHEMBL7906210 0.80 FNTA (0.67) FNTAFNTB
Lithium SCHEMBL7906212 0.80 FNTA (0.67) FNTAFNTB
SCHEMBL7904826 0.79 FNTA (0.42) FFAR1FFAR4FNTAFNTBPPARG
SCHEMBL7906995 0.79 TDP1 (0.50) FFAR1FFAR4RAB9AFNTAFNTB

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-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