SCHEMBL8770963

SCHEMBL8770963

CS(=O)(=O)OC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)CS/C=C/C#N)[C@H]2SC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 5/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SLC15A2 Q16348 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ NR1I2 O75469 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38

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
SCHEMBL8770979 1.00 HSD17B10 (0.41) HSD17B10L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL8771160 0.86 NR1I2 (0.46) HSD17B10L3MBTL1MAPTTDP1CYP3A4
SCHEMBL8771154 0.86 NR1I2 (0.46) HSD17B10L3MBTL1MAPTTDP1CYP3A4
SCHEMBL8771118 0.86 NR1I2 (0.49) HSD17B10L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL8771113 0.86 NR1I2 (0.49) HSD17B10L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL8943520 0.84 MAPK1 (0.56) HSD17B10L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL3836105 0.84 MAPK1 (0.56) HSD17B10L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL8943516 0.84 MAPK1 (0.56) HSD17B10L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL3836103 0.84 MAPK1 (0.56) HSD17B10L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL18023724 0.84 MAPK1 (0.56) HSD17B10L3MBTL1ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796263-A1 CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 — — EP disclosed
WO-1996017850-A1 CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-13 — — WO disclosed
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