SCHEMBL9828186

SCHEMBL9828186

CC(OC(=O)NCCCCCC(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.48
OPRM1 P35372 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
ADRA1A P35348 1/20 0.45
LMNA P02545 1/20 0.45
NAAA Q02083 2/20 0.45
FFAR1 O14842 1/20 0.44
PRMT1 Q99873 1/20 0.44
TBXA2R P21731 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
SCHEMBL9828137 0.96 HTT (0.56) HTTKMT2AOPRM1ALDH1A1ATM
SCHEMBL11186607 0.93 OPRM1 (0.51) HTTOPRM1ALDH1A1NAAA
SCHEMBL9831112 0.88 OPRM1 (0.50) HTTOPRM1FFAR1
SCHEMBL9308871 0.84 NAAA (0.51) HTTKMT2AOPRM1ALDH1A1LMNA
SCHEMBL21798492 0.82 EPHX2 (0.60) KMT2AALDH1A1
SCHEMBL27884835 0.81 FFAR1 (0.49) MAPK1ALDH1A1ADRA1ALMNAFFAR1
SCHEMBL10639479 0.81 OPRM1 (0.51) OPRM1LMNANAAA
SCHEMBL9293279 0.80 OPRM1 (0.50) HTTOPRM1ALDH1A1NAAA
SCHEMBL17550883 0.80 OPRM1 (0.50) OPRM1LMNANAAA
SCHEMBL19182 0.79 FFAR1 (0.50) MAPK1ALDH1A1ADRA1AFFAR1TBXA2R

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed