SCHEMBL8932490

SCHEMBL8932490

COc1ccc(CSC(CNC=O)CNC=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
IDO1 P14902 2/20 0.41
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB3 P13945 1/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 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
SCHEMBL8932497 0.81 IDO1 (0.45) EPHX1L3MBTL1GAASMN1; SMN2TP53
SCHEMBL23997486 0.77 DPP4 (0.38) EPHX1GAASMN1; SMN2TP53ALDH1A1
SCHEMBL8932525 0.74 IDO1 (0.51) EPHX1SMN1; SMN2TP53ALDH1A1CYP3A4
SCHEMBL1987106 0.73 ALDH1A1 (0.55) ALDH1A1RAB9AHTT
SCHEMBL10506540 0.73 IDO1 (0.44) EPHX1L3MBTL1IDO1APP
SCHEMBL8932405 0.72 PPARG (0.52) EPHX1L3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL6571608 0.71 SLC6A4 (0.52) EPHX1L3MBTL1GAASMN1; SMN2TP53
SCHEMBL2467062 0.70 SMN1; SMN2 (0.57) GAASMN1; SMN2ALDH1A1ANPEPERAP2
SCHEMBL3443780 0.70 AOC3 (0.63) GAASMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL4723219 0.69 CNR2 (0.49) L3MBTL1GAASMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed