SCHEMBL7790649

SCHEMBL7790649

C=Cc1cccc(/C=C/CC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
PTGS2 P35354 1/20 0.37
APP P05067 6/20 0.35
NFE2L2 Q16236 1/20 0.34
FBP1 P09467 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7790658 1.00 TP53 (0.50) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL31149192 0.89 NFE2L2 (0.41) APPNFE2L2FBP1CHRM2CHRM1
Styrene SCHEMBL5101848 0.82 ALDH1A1 (0.58) ALDH1A1TSHR
Styrene SCHEMBL11312642 0.82 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL13455425 0.80 ALDH1A1 (0.45) TDP1ALDH1A1FBP1CHRM2CHRM1
Styrene SCHEMBL27992057 0.80 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL659019 0.79 ALDH1A1 (0.52) TDP1ALDH1A1TSHRHDAC8
SCHEMBL659018 0.79 ALDH1A1 (0.52) TDP1ALDH1A1TSHRHDAC8
Styrene SCHEMBL28445881 0.78 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL19227545 0.78 TP53 (0.52) TP53TDP1PTGS2NFE2L2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155061-A1 TRIBLOCK COPOLYMERS INCORPORATING A STYRENE/ISOOLEFIN COPOLYMER MIDBLOCK ExxonMobil Chemical Patents Inc. (US) 2001-11-21 EP disclosed
US-6265486-B1 LIVING POLYMERS EXXON MOBIL CHEMICAL PATENTS INC. 2001-07-24 US disclosed
WO-2000040631-A1 TRIBLOCK COPOLYMERS INCORPORATING A STYRENE/ISOOLEFIN COPOLYMER MIDBLOCK EXXON CHEMICAL PATENTS INC. (US) 2000-07-13 WO disclosed
US-4020043-A FLUORO-ALIPHATIC-SULFONYL-SUBSTITUTED ETHYLENE COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-04-26 US disclosed