SCHEMBL8520742

SCHEMBL8520742

C=CC(=C)C.C=Cc1ccc(C=C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TSHR P16473 2/20 0.56
TP53 P04637 2/20 0.56
TDP1 Q9NUW8 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL11325348 0.91 ALDH1A1 (0.50) ALDH1A1TSHRTP53TDP1HDAC8
SCHEMBL7672210 0.91 ALDH1A1 (0.50) ALDH1A1TSHRTP53TDP1HDAC8
4-Vinylphenol SCHEMBL28318354 0.91 ALDH1A1 (0.50) ALDH1A1TSHRTP53TDP1HDAC8
SCHEMBL2849520 0.89 CYP3A4 (0.48) ALDH1A1TSHRTP53TDP1HDAC8
Styrene SCHEMBL23291090 0.87 ALDH1A1 (0.67) ALDH1A1TSHRTP53TDP1HDAC8
Styrene SCHEMBL218545 0.87 ALDH1A1 (0.67) ALDH1A1TSHRTP53TDP1HDAC8
Styrene SCHEMBL1408424 0.87 ALDH1A1 (0.67) ALDH1A1TSHRTP53TDP1HDAC8
Styrene SCHEMBL11645497 0.87 ALDH1A1 (0.67) ALDH1A1TSHRTP53TDP1HDAC8
Styrene SCHEMBL530074 0.87 ALDH1A1 (0.67) ALDH1A1TSHRTP53TDP1HDAC8
Styrene SCHEMBL5914572 0.87 ALDH1A1 (0.67) ALDH1A1TSHRTP53TDP1HDAC8

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
US-20150344813-A1 LUBRICATING OIL COMPOSITIONS INFINEUM INTERNATIONAL LIMITED (GB) 2015-12-03 US disclosed
EP-0874885-B1 CRANKCASE LUBRICATING COMPOSITIONS INFINEUM USA LP (US) 1999-10-20 EP disclosed