SCHEMBL31438947

SCHEMBL31438947

CC(C)=CCC/C(C)=C\COc1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.56
GMNN O75496 1/20 0.56
TRPA1 O75762 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CDK2 P24941 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TRPV1 Q8NER1 2/20 0.54
ALOX15 P16050 7/20 0.54
MTNR1A P48039 1/20 0.52
PTGES O14684 2/20 0.49

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
SCHEMBL7033631 1.00 ICMT (0.56) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL6652681 1.00 ICMT (0.56) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL6653805 1.00 ICMT (0.56) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL31438944 1.00 ICMT (0.56) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL15756532 0.99 ICMT (0.58) ICMTGMNNTRPA1LMNACYP1A2
Phosphoric Acid SCHEMBL28051929 0.94 ICMT (0.54) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL4654951 0.88 ALOX15 (0.54) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL4654953 0.88 ALOX15 (0.54) ICMTGMNNTRPA1LMNACYP1A2
SCHEMBL30293717 0.87 KDM4E (0.58) LMNACYP1A2MAPTCYP2C9TSHR
SCHEMBL1791554 0.87 KDM4E (0.58) LMNACYP1A2MAPTCYP2C9TSHR

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-3689849-B1 PERFUME PRECURSOR TAKASAGO PERFUMERY CO LTD (JP) 2025-01-15 EP claimed