SCHEMBL7944697

SCHEMBL7944697

C/C=C(\C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 3/20 0.49
SRD5A2 P31213 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 4/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 2/20 0.45

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
SCHEMBL11093809 1.00 TSHR (0.60) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL3126651 0.83 GLA (0.58) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL7944695 0.83 TSHR (0.53) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL3126653 0.83 GLA (0.58) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL7933394 0.82 CYP11B2 (0.45) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL9190390 0.81 ERN1 (0.49) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL9723906 0.81 ALDH1A1 (0.54) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL9723904 0.81 ALDH1A1 (0.54) TSHRCASP1SMN1; SMN2ERCC5FEN1
SCHEMBL9723882 0.77 MAPT (0.49) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL9723883 0.77 MAPT (0.49) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1

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
US-6242634-B1 OF HERBICIDES, HALOPHENYL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6100257-A 2-HALOALKYL,3-(HALOALKYL, ALKENYL, OR ALKYNYL),5-(SUBSTITUTED PHENYL OR HETEROCYCLE),6-ALKYL-PYRIMIDIN-4-ONE COMPOUNDS OF GIVEN STRUCTURE; USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-08-08 US disclosed
EP-0850229-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-01 EP disclosed
WO-1997006150-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-20 WO disclosed