SCHEMBL6561617

SCHEMBL6561617

CC(C)=CCCC(C)=CCc1cccc(C(=O)O)c1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.52
GMNN O75496 1/20 0.52
TRPA1 O75762 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CDK2 P24941 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CNR2 P34972 1/20 0.47
ACHE P22303 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44

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
2-Benzoylbenzoic Acid SCHEMBL6561479 0.96 POLB (0.49) ICMTGMNNTRPA1LMNACYP1A2
2-Benzoylbenzoic Acid SCHEMBL6561477 0.96 POLB (0.49) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL3270847 0.90 ICMT (0.53) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL3270841 0.90 ICMT (0.53) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL6685025 0.89 ICMT (0.52) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL5604693 0.86 MAPT (0.60) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL28036 0.86 MAPT (0.60) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL28035 0.86 MAPT (0.60) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL25381803 0.85 PPARG (0.47) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL15345638 0.84 MAPT (0.62) ICMTGMNNTRPA1LMNACYP1A2

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
EP-1082287-B1 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH & CIE (CH) 2004-03-17 EP claimed