SCHEMBL7811520

SCHEMBL7811520

C#CCOS(=O)(=O)c1ccc(C)c(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CA12 O43570 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA1 P00915 3/20 0.37
PTGS2 P35354 4/20 0.36
CYP2D6 P10635 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.34
CA4 P22748 2/20 0.33

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
SCHEMBL21834496 0.83 CYP1A2 (0.44) L3MBTL1MCOLN3ALDH1A1CYP1A2CYP3A4
SCHEMBL254799 0.76 PARL (0.43) L3MBTL1ALDH1A1CA12CA2CA9
SCHEMBL10724788 0.73 PTGDR2 (0.43) L3MBTL1MCOLN3ALDH1A1CYP1A2CYP3A4
SCHEMBL1117279 0.73 GAA (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16574199 0.73 PTGS2 (0.61) L3MBTL1MCOLN3ALDH1A1PTGDR2CA12
SCHEMBL27871204 0.71 CA2 (0.64) L3MBTL1MCOLN3ALDH1A1CA12CA2
SCHEMBL3151103 0.71 ALDH1A1 (0.48) L3MBTL1MCOLN3ALDH1A1CYP1A2CYP3A4
SCHEMBL8756138 0.70 L3MBTL1 (0.49) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6262479 0.69 PTGS2 (0.44) PTGS2LMNAPTGS1
SCHEMBL28968110 0.69 PTGS2 (0.42) L3MBTL1PTGDR2CA12CA2CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764165-B1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER LAMBERT CO (US) 2001-11-07 EP disclosed
EP-0764165-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1997-03-26 EP disclosed
US-5514812-A Preparation of stereochemically pure oximes with muscarinic activity WARNER-LAMBERT COMPANY (US) 1996-05-07 US disclosed
WO-1995034562-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1995-12-21 WO disclosed