SCHEMBL27718977

SCHEMBL27718977

CCC(Cc1ccc(O)c(OC)c1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOS P01100 1/20 0.59
▸ TTR P02766 1/20 0.59
▸ JUN P05412 1/20 0.59
▸ NR3C1 P04150 1/20 0.59
▸ HSD17B1 P14061 1/20 0.59
▸ HSD17B2 P37059 1/20 0.59
▸ CYP3A4 P08684 2/20 0.56
▸ MMP1 P03956 1/20 0.56
▸ ALOX15 P16050 2/20 0.55
▸ ALOX12 P18054 2/20 0.55
▸ TSHR P16473 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ TAAR1 Q96RJ0 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ ALOX5 P09917 1/20 0.50

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
SCHEMBL16973420 0.90 LDHA (0.62) ALOX15ALOX12ALDH1A1LMNALDHA
SCHEMBL1682680 0.87 FOS (0.60) FOSTTRJUNNR3C1HSD17B1
SCHEMBL15259679 0.87 FOS (0.54) FOSTTRJUNNR3C1HSD17B1
SCHEMBL299310 0.84 HTR1A (0.59) CYP3A4ALOX15ALDH1A1TRPV1CYP1A2
SCHEMBL28162513 0.84 HTR1A (0.59) CYP3A4ALOX15ALDH1A1TRPV1CYP1A2
SCHEMBL1286871 0.84 HTR1A (0.59) CYP3A4ALOX15ALDH1A1TRPV1CYP1A2
SCHEMBL3393167 0.84 HTR1A (0.59) CYP3A4ALOX15ALDH1A1TRPV1CYP1A2
SCHEMBL29370506 0.84 HTR1A (0.59) CYP3A4ALOX15ALDH1A1TRPV1CYP1A2
SCHEMBL29549298 0.84 HTR1A (0.59) CYP3A4ALOX15ALDH1A1TRPV1CYP1A2
SCHEMBL28516417 0.83 HTR1A (0.58) CYP3A4ALOX15ALDH1A1TRPV1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006786-B Warming sensate composition FIRMENICH S.A. (CH) 2014-10-01 — — CN claimed
CN-101155522-B Hot flavour and skin sensation composition FIRMENICH & CIE 2011-08-24 — — CN claimed
CN-102006786-A Warming sensate composition FIRMENICH & CIE 2011-04-06 — — CN claimed
CN-101155522-A Hot flavour and skin sensation composition FIRMENICH & CIE (CH) 2008-04-02 — — CN claimed
CN-101155522-B Hot flavour and skin sensation composition FIRMENICH & CIE 2011-08-24 — — CN disclosed
CN-101155522-A Hot flavour and skin sensation composition FIRMENICH & CIE (CH) 2008-04-02 — — CN disclosed
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