SCHEMBL9719755

SCHEMBL9719755

C/C=C/COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.43
TLR9 Q9NR96 1/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.41
CTSK P43235 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL4858307 1.00 G6PD (0.43) G6PDTLR9GAASTAT3CTSK
SCHEMBL6555452 1.00 G6PD (0.43) G6PDTLR9GAASTAT3CTSK
SCHEMBL7694210 0.91 G6PD (0.47) G6PDTLR9GAASTAT3CTSK
SCHEMBL7697212 0.91 G6PD (0.47) G6PDTLR9GAASTAT3CTSK
SCHEMBL7694213 0.91 G6PD (0.47) G6PDTLR9GAASTAT3CTSK
SCHEMBL28420820 0.84 G6PD (0.42) G6PDTLR9GAASTAT3CTSK
SCHEMBL5011374 0.84 G6PD (0.42) G6PDTLR9GAASTAT3CTSK
SCHEMBL17735725 0.84 KMT2A (0.43) G6PDTLR9GAASTAT3CTSK
SCHEMBL27715384 0.84 ALDH1A1 (0.42) TLR9GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8553253 0.83 CA1 (0.41) G6PDTLR9GAASTAT3CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337862-B1 1-HALO-(Z,E) 7,10-DODECADIENE AND A METHOD FOR THE PRODUCTION THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 1992-07-08 EP disclosed
US-4918252-A CHEMICAL INTERMEDIATE FOR SEX PHEROMONE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-04-17 US disclosed
EP-0337862-A1 1-halo-(Z,E) 7,10-dodecadiene and a method for the production thereof Shin-Etsu Chemical Co., Ltd. (JP) 1989-10-18 EP disclosed