SCHEMBL8771118

SCHEMBL8771118

CS(=O)(=O)OC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)CSc3ccccc3)[C@@H]2SC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.49
▸ CA5A P35218 1/20 0.49
▸ MAPT P10636 6/20 0.46
▸ TDP1 Q9NUW8 6/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SLC15A2 Q16348 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL8771113 1.00 NR1I2 (0.49) NR1I2CA5AMAPTTDP1CYP3A4
SCHEMBL8943520 0.89 MAPK1 (0.56) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL3836105 0.89 MAPK1 (0.56) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL3836103 0.89 MAPK1 (0.56) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL18023724 0.89 MAPK1 (0.56) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL8943516 0.89 MAPK1 (0.56) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL11333355 0.86 CTDSP1 (0.49) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL11333366 0.86 CTDSP1 (0.49) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL8770963 0.86 HSD17B10 (0.41) NR1I2MAPTTDP1CYP3A4HSD17B10
SCHEMBL8770979 0.86 HSD17B10 (0.41) NR1I2MAPTTDP1CYP3A4HSD17B10

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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