SCHEMBL9800921

SCHEMBL9800921

CCCCCCCC/C=C/CCCCCCCCNC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.62
▸ FAAH O00519 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ SOAT1 P35610 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ EPHX2 P34913 10/20 0.61
▸ KDM4E B2RXH2 1/20 0.56

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
SCHEMBL30349 1.00 SLC6A5 (0.62) SLC6A5FAAHMEN1TP53CYP1A2
SCHEMBL25711820 1.00 SLC6A5 (0.62) SLC6A5FAAHMEN1TP53CYP1A2
SCHEMBL769868 1.00 SLC6A5 (0.62) SLC6A5FAAHMEN1TP53CYP1A2
SCHEMBL31348788 1.00 SLC6A5 (0.62) SLC6A5FAAHMEN1TP53CYP1A2
SCHEMBL769870 1.00 SLC6A5 (0.62) SLC6A5FAAHMEN1TP53CYP1A2
SCHEMBL3096362 1.00 SLC6A5 (0.62) SLC6A5FAAHMEN1TP53CYP1A2
SCHEMBL6332840 0.95 KDM4E (0.65) SOAT1KDM4E
SCHEMBL5146257 0.95 KDM4E (0.65) SOAT1KDM4E
SCHEMBL29619662 0.95 KDM4E (0.65) SOAT1KDM4E
SCHEMBL1702127 0.91 EPHX2 (0.60) SLC6A5EPHX2

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-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 — — EP claimed
EP-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 — — EP disclosed
Send feedback