SCHEMBL9153121

SCHEMBL9153121

CCCCCCC(=O)OC1CCCC(C)(C(C)C)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.61
STAT3 P40763 1/20 0.42
LMNA P02545 2/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 2/20 0.39
MAPT P10636 1/20 0.38
PRKCA P17252 2/20 0.36

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
SCHEMBL18825657 0.83 NAAA (0.37) NAAALMNASMN1; SMN2
SCHEMBL613730 0.82 NAAA (0.36) NAAASMN1; SMN2
SCHEMBL11408977 0.80 CYP2C19 (0.36) NAAASMN1; SMN2
SCHEMBL28012006 0.79 CYP2C19 (0.38) NAAALMNA
SCHEMBL16457292 0.79 CYP2C19 (0.38) NAAALMNA
SCHEMBL698620 0.79 CYP2C19 (0.35) NAAA
SCHEMBL612164 0.79 CYP2C19 (0.38) NAAALMNA
SCHEMBL4063062 0.77 EPHX1 (0.32)
SCHEMBL3654640 0.77 NAAA (1.00) NAAALMNASMN1; SMN2PRKCA
SCHEMBL16537767 0.77 NAAA (1.00) NAAALMNASMN1; SMN2PRKCA

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-0552186-B1 MENTHOL DERIVATIVE HAVING SPASMOLYTIC ACTIVITY PULITZER ITALIANA (IT) 1995-01-11 EP disclosed
EP-0552186-A1 MENTHOL DERIVATIVE HAVING SPASMOLYTIC ACTIVITY. PULITZER ITALIANA (IT) 1993-07-28 EP disclosed
WO-1992006947-A1 MENTHOL DERIVATIVE HAVING SPASMOLYTIC ACTIVITY PULITZER ITALIANA S.R.L. (IT) 1992-04-30 WO disclosed