SCHEMBL17122477

SCHEMBL17122477

CCCc1ccc(I)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43

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
SCHEMBL14268141 0.85 GABRA1 (0.48) ATMKDM4EPOLBMAPK1CYP3A4
SCHEMBL19578912 0.84 PTGS2 (0.52) ATMKDM4EPOLBTAAR1MAPK1
SCHEMBL17186259 0.83 KDM4E (0.70) ATMKDM4ETAAR1MAPK1CYP3A4
SCHEMBL15895025 0.83 ATM (0.46) ATMKDM4EPOLBTAAR1MAPK1
SCHEMBL427541 0.82 ATM (0.68) ATMKDM4EPOLBCYP3A4CYP19A1
Ammonia Solution, Strong SCHEMBL10556485 0.80 ATM (0.66) ATMKDM4EPOLBCYP3A4CYP19A1
SCHEMBL15693567 0.79 ATM (0.55) ATMKDM4EPOLBMAPK1CYP3A4
SCHEMBL2559405 0.78 ATM (0.48) ATMKDM4EPOLBTAAR1MAPK1
Hydrochloric Acid SCHEMBL8621698 0.78 ATM (0.63) ATMKDM4EPOLBCYP3A4CYP19A1
SCHEMBL6376593 0.78 GABRA1 (0.53) ATMKDM4EPOLBTAAR1MAPK1

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-9144248-B2 Cinnamamides as savory flavorings SYMRISE AG (DE) 2015-09-29 — — US disclosed
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