SCHEMBL4304036

SCHEMBL4304036

Sc1cc(Cl)cc(Cl)c1S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 7/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP3A4 P08684 5/20 0.41
RECQL P46063 3/20 0.41
HPGD P15428 3/20 0.36
AHR P35869 3/20 0.36
TP53 P04637 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CES1 P23141 1/20 0.32
DNMT1 P26358 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
MAPK1 P28482 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL1392834 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL331398 0.78 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL9194533 0.77 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL28475506 0.74 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL23139048 0.72 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL8602957 0.72 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL9500534 0.72 RAPGEF4 (0.43) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL8851058 0.72 HSD17B10 (0.65) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL1690027 0.70 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL30056923 0.67 TRPV4 (0.47) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775733-A POLYTHIOURETHANES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-10-04 US claimed
US-20090253015-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2009-10-08 US disclosed
US-7399801-B2 Curable composition KANEKA CORPORATION (JP) 2008-07-15 US disclosed
EP-1857482-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP disclosed
US-20040249026-A1 Curable composition KANEKA CORPORATION (JP) 2004-12-09 US disclosed
EP-1447422-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-08-18 EP disclosed
EP-0235743-B1 HIGH-REFRACTIVITY PLASTIC LENS RESIN MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-01-31 EP disclosed
US-4775733-A POLYTHIOURETHANES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-10-04 US disclosed
EP-0235743-A1 High-refractivity plastic lens resin MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-09 EP disclosed