SCHEMBL9716636

SCHEMBL9716636

CC=CC(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TRPM8 Q7Z2W7 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TP53 P04637 1/20 0.41

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
SCHEMBL9716632 1.00 CYP3A4 (0.50) CYP3A4LMNATRPM8ALDH1A1GLA
SCHEMBL20314813 1.00 CYP3A4 (0.50) CYP3A4LMNATRPM8ALDH1A1GLA
SCHEMBL10591288 0.84 CYP3A4 (0.64) CYP3A4LMNATRPM8ALDH1A1GLA
SCHEMBL8171082 0.84 CYP3A4 (0.46) CYP3A4LMNATRPM8ALDH1A1GLA
SCHEMBL20314812 0.83 TRPM8 (0.46) CYP3A4TRPM8ALDH1A1GLATSHR
SCHEMBL9405499 0.83 TRPM8 (0.46) CYP3A4TRPM8ALDH1A1GLATSHR
SCHEMBL10220933 0.81 TRPM8 (0.69) LMNATRPM8ALDH1A1GLACYP2C9
SCHEMBL20314815 0.79 TRPM8 (0.43) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL2992708 0.79 GSTO1 (0.54) CYP3A4TRPM8ALDH1A1GLATSHR
SCHEMBL690247 0.76 ALDH1A1 (0.53) CYP3A4ALDH1A1GLATSHRMEN1

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 — — EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 — — EP disclosed
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