SCHEMBL4564767

SCHEMBL4564767

C=CCOS(=O)(=O)c1ccc(C=C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
CA7 P43166 5/20 0.42
CA12 O43570 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CA4 P22748 3/20 0.35
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 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
SCHEMBL27597410 0.90 CA1 (0.48) TDP1CA1CA2CA9CA7
SCHEMBL6115133 0.85 TDP1 (0.53) TDP1CA1CA2CA9CA7
SCHEMBL6100167 0.81 PLCG1 (0.44) TDP1CA1CA2CA9CA7
SCHEMBL8927738 0.81 ALDH1A1 (0.43) TDP1CA1CA2CA9CA7
SCHEMBL29023707 0.81 NR1I2 (0.45) CA1CA2CA9CA7CA12
SCHEMBL169846 0.81 C5AR1 (0.44) CA1CA2CA9CA7CA12
SCHEMBL313392 0.81 TDP1 (0.50) TDP1CA1CA2CA9CA7
SCHEMBL14275049 0.81 TDP1 (0.50) TDP1CA1CA2CA9CA7
SCHEMBL62040 0.81 PARL (0.43) TDP1CA1CA2CA9CA7
SCHEMBL27283551 0.81 PARL (0.43) TDP1CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036608-A1 CHLOROPRENE-BASED BLOCK COPOLYMER, SOAPLESS POLYCHLOROPRENE-BASED LATEX, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-02-05 US disclosed
US-20080125572-A1 POLYCHLOROPRENE-BASE LATEX AND METHOD FOR PRODUCING IT TOSOH CORPORATION (JP) 2008-05-29 US disclosed
EP-0232006-B1 COMPOSITIONS FOR SURFACE TREATMENT, POLYMERS THEREFOR, AND METHOD OF SURFACE TREATMENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-24 EP disclosed
US-5004631-A Water erodible coating IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-02 US disclosed
EP-0232006-A2 Compositions for surface treatment, polymers therefor, and method of surface treatment IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-12 EP disclosed