SCHEMBL14018496

SCHEMBL14018496

CC1CCCCC1NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.57
▸ EPHX1 P07099 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ CTSB P07858 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSL P07711 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CASP3 P42574 3/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL22585843 0.97 CPB1 (0.57) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL6612597 0.90 EPHX1 (0.63) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL4033681 0.85 CPB1 (0.54) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL10007480 0.84 CASP3 (0.62) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL22204568 0.84 CASP3 (0.62) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL6200837 0.84 CASP3 (0.62) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL5749471 0.84 EPHX1 (0.58) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL18544232 0.84 EPHX1 (0.58) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL13917140 0.84 EPHX1 (0.58) CPB1EPHX1ALDH1A1GAACTSB
SCHEMBL13326281 0.84 EPHX1 (0.58) CPB1EPHX1ALDH1A1GAACTSB

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
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 — — EP disclosed
Send feedback