SCHEMBL9985259

SCHEMBL9985259

C=Cc1ccc(C)cc1.ClC(Cl)=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 5/20 0.43
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PTGS2 P35354 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
FBP1 P09467 1/20 0.37
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
MDM2 Q00987 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
Styrene SCHEMBL1974109 0.84 ALDH1A1 (0.70) ALDH1A1TSHRTDP1TP53MAPT
Styrene SCHEMBL9583045 0.84 ALDH1A1 (0.70) ALDH1A1TSHRTDP1TP53MAPT
Styrene SCHEMBL26650644 0.84 ALDH1A1 (0.70) ALDH1A1TSHRTDP1TP53MAPT
SCHEMBL1429518 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL9861448 0.82 CYP2A6 (0.46) ALDH1A1MEN1KMT2ATDP1MAPT
Styrene SCHEMBL2361403 0.82 ALDH1A1 (0.74) ALDH1A1TSHRTDP1TP53MAPT
Toluene SCHEMBL27694318 0.80 ALDH1A1 (0.62) ALDH1A1TSHRTDP1TP53MAPT
Benzene SCHEMBL28408287 0.80 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2ATDP1
Styrene SCHEMBL28324278 0.78 ALDH1A1 (0.67) ALDH1A1TSHRMEN1KMT2ATDP1
Styrene SCHEMBL8859296 0.78 ALDH1A1 (0.74) ALDH1A1TSHRTDP1TP53MAPT

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-2392611-A2 Functionalized ethylene/alpha-olefin interpolymer compositions Dow Global Technologies LLC (US) 2011-12-07 EP claimed
CN-103013041-B Epoxy resin composition 上纬企业股份有限公司 2016-08-03 CN disclosed