SCHEMBL9829520

SCHEMBL9829520

CC(C(=O)NCCCCC(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
NAAA Q02083 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.49
CNR1 P21554 1/20 0.48

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
SCHEMBL8767346 0.98 NAAA (0.55) TRPV1NAAAALDH1A1ERCC1ERCC4
SCHEMBL14540295 0.89 ERCC1 (0.52) TRPV1ALDH1A1ERCC1ERCC4
SCHEMBL3200580 0.89 ERCC1 (0.52) TRPV1ALDH1A1ERCC1ERCC4
SCHEMBL5842738 0.84 TRPV1 (0.56) TRPV1NAAAALDH1A1ERCC1ERCC4
SCHEMBL5611870 0.83 ALDH1A1 (0.53) TRPV1NAAAALDH1A1ERCC1ERCC4
SCHEMBL1231957 0.83 CNR1 (0.65) NAAACYP2D6CYP2C19MAPK1CNR1
SCHEMBL11471099 0.81 GLI1 (0.59) TRPV1ALDH1A1ERCC1ERCC4KMT2A
SCHEMBL19245448 0.80 GPR88 (0.56) TRPV1NAAAALDH1A1ERCC1ERCC4
SCHEMBL28658959 0.80 GPR88 (0.56) TRPV1NAAAALDH1A1ERCC1ERCC4
SCHEMBL22118182 0.80 MAPK1 (0.51) NAAAALDH1A1CYP2C9CYP2C19MAPK1

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