SCHEMBL4535147

SCHEMBL4535147

C=CC(=C)C.CC(C)(C)C=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
MAOB P27338 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
Ethylene SCHEMBL17997367 0.86 CYP2C19 (0.52) CYP2C19GLATDP1EGFRALDH1A1
SCHEMBL6286942 0.85 CYP2C19 (0.55) CYP2C19GLATDP1EGFRALDH1A1
SCHEMBL28939716 0.85 CYP2C19 (0.55) CYP2C19GLATDP1EGFRALDH1A1
SCHEMBL3259240 0.85 CYP2C19 (0.55) CYP2C19GLATDP1EGFRALDH1A1
SCHEMBL26917 0.85 CYP2C19 (0.55) CYP2C19GLATDP1EGFRALDH1A1
Benzene SCHEMBL27345987 0.85 CYP2C19 (0.55) CYP2C19GLATDP1EGFRALDH1A1
SCHEMBL8420384 0.85 CYP2C19 (0.46) CYP2C19GLATDP1CYP3A4ALOX15
Butadiene SCHEMBL7155720 0.84 CYP2C19 (0.50) CYP2C19GLATDP1EGFRALDH1A1
SCHEMBL29171014 0.83 CYP2C19 (0.53) CYP2C19GLATDP1EGFRALDH1A1
Water SCHEMBL15415928 0.83 CYP2C19 (0.53) CYP2C19GLATDP1EGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637621-A1 ELASTOMERIC COMPOSITIONS THAT RESIST FORCE LOSS The Procter and Gamble Company (US) 2013-09-18 EP disclosed
WO-2012064908-A1 ELASTOMERIC COMPOSITIONS THAT RESIST FORCE LOSS THE PROCTER & GAMBLE COMPANY (US) 2012-05-18 WO disclosed