SCHEMBL7525783

SCHEMBL7525783

C=C(c1ccc2c(c1)C=C2)c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.38
KDM4E B2RXH2 7/20 0.35
HPGD P15428 6/20 0.35
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA1 P00915 1/20 0.35
HMGB1 P09429 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPT P10636 5/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 6/20 0.33
MEN1 O00255 4/20 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
SCHEMBL7523081 0.89 PTPRC (0.34) MAPTHSD17B10MEN1KMT2AHTT
SCHEMBL7523100 0.78
SCHEMBL9458260 0.78 MAPT (0.42) MAPTHSD17B10MEN1KMT2AHTT
SCHEMBL4038710 0.77 MEN1 (0.47) ALDH1A1NAPRTMAPTTSHRHSD17B10
SCHEMBL2113883 0.74 HPGD (0.50) LIG1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL4801020 0.73 HPGD (0.52) LIG1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL28405028 0.73 LIG1 (0.42) LIG1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL28011573 0.72 KDM4E (0.37) LIG1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL7518056 0.72 KDM4E (0.50) KDM4EHPGDALDH1A1HMGB1NAPRT
SCHEMBL7520477 0.68 HTT (0.38) HPGDALDH1A1SMN1; SMN2MAPTHSD17B10

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-0506314-B1 Process for preparing vinylically-unsaturated compounds DOW CHEMICAL CO (US) 2002-01-30 EP disclosed
US-5243068-A Alkenylation with organic halides THE DOW CHEMICAL COMPANY (US) 1993-09-07 US disclosed
EP-0506314-A2 Process for preparing vinylically-unsaturated compounds THE DOW CHEMICAL COMPANY (US) 1992-09-30 EP disclosed
US-5136069-A Reacting with halogenated organic compound in presence of palladium complex catalyst and inorganic hydrogen halide acceptor THE DOW CHEMICAL COMPANY (US) 1992-08-04 US disclosed