SCHEMBL8460949

SCHEMBL8460949

C=Cc1ccc(C(=C)C)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
TRPA1 O75762 1/20 0.36
MCL1 Q07820 2/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TP53 P04637 1/20 0.33
RXRA P19793 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HTR2C P28335 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL10414452 0.84 MCL1 (0.39) HSD17B1TRPA1MCL1ALDH1A1TDP1
SCHEMBL5266651 0.82 TRPA1 (0.36) HSD17B1TRPA1MCL1ALDH1A1TDP1
SCHEMBL1451927 0.82 MCL1 (0.46) HSD17B1TRPA1MCL1TAS1R3TAS1R1
SCHEMBL17784933 0.79 MCL1 (0.40) HSD17B1TRPA1MCL1ALDH1A1TDP1
SCHEMBL28566020 0.79 ALDH1A1 (0.42) TRPA1MCL1ALDH1A1TDP1TP53
SCHEMBL29030408 0.78 MCL1 (0.41) HSD17B1TRPA1MCL1ALDH1A1TAS1R3
SCHEMBL29483331 0.77 HSD17B1 (0.41) HSD17B1ALDH1A1RXRARARARARB
SCHEMBL20262941 0.77 HSD17B1 (0.41) HSD17B1ALDH1A1RXRARARARARB
SCHEMBL14321375 0.77 MCL1 (0.55) MCL1ALDH1A1CYP1A2CYP2C9
SCHEMBL30767842 0.77 TDP1 (0.45) TRPA1MCL1ALDH1A1TDP1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700963-B1 Polymeric N-aryl substituted and N-alkaryl substituted diphenyldiamines GOODYEAR TIRE & RUBBER (US) 1999-04-14 EP claimed
WO-2023015283-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DEGRADATION OF ENGINEERED PROTEINS CELGENE CORPORATION (US) 2023-02-09 WO disclosed
EP-0117831-A1 Stabilized polyester compositions THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-09-05 EP disclosed