SCHEMBL10419684

SCHEMBL10419684

CN(C)C(=CC=C(Sc1ccccc1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10419683 1.00 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19CA12CA1
SCHEMBL10418109 0.87 MEN1 (0.37) CYP1A2CYP2C19MAPT
SCHEMBL10418108 0.87 MEN1 (0.37) CYP1A2CYP2C19MAPT
SCHEMBL10418758 0.77 MAPT (0.32) MAPTL3MBTL1
SCHEMBL10418756 0.77 MAPT (0.32) MAPTL3MBTL1
SCHEMBL10418165 0.75 MEN1 (0.42) CYP1A2CYP2C19MAPT
SCHEMBL10418164 0.75 MEN1 (0.42) CYP1A2CYP2C19MAPT
SCHEMBL10419252 0.72 MEN1 (0.40) CYP1A2CYP2C19MAPTL3MBTL1
SCHEMBL10419253 0.72 MEN1 (0.40) CYP1A2CYP2C19MAPTL3MBTL1
SCHEMBL10418126 0.71 MEN1 (0.40) CYP1A2CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4971979-A Antiinflammatory agents RHONE-POULENC SANTE (FR) 1990-11-20 US disclosed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 US disclosed