SCHEMBL9514663

SCHEMBL9514663

CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
TRPV1 Q8NER1 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 1/20 0.47

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
SCHEMBL9513684 0.85 EPHX1 (0.63) EPHX1
SCHEMBL9513440 0.80 MTNR1A (0.64) SMN1; SMN2EPHX1
SCHEMBL9514688 0.78 KDM4E (0.61) SMN1; SMN2EPHX1
SCHEMBL17040271 0.77 CES2 (0.61) CES2
SCHEMBL4433152 0.77 CES2 (1.00) CES2
SCHEMBL30192907 0.77 CES2 (1.00) CES2
SCHEMBL6688137 0.76 SMN1; SMN2 (0.67) SMN1; SMN2
SCHEMBL761158 0.75 KDM4E (0.61) CES2SMN1; SMN2
SCHEMBL17037431 0.75 CES2 (0.58) CES2
SCHEMBL2732841 0.73 CYP1A2 (0.58) CES2

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
EP-0344425-B1 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER LAMBERT CO (US) 1993-12-08 EP disclosed
EP-0344425-A2 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1989-12-06 EP disclosed