SCHEMBL4020684

SCHEMBL4020684

CCCCCCCCc1ccc(NC2(Nc3ccc(CCCCCCCC)cc3)OC(=O)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
SPHK1 Q9NYA1 11/20 0.42
UNG P13051 1/20 0.40

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
SCHEMBL4889614 0.81 CFTR (0.56) POLBCYP2C9CYP2C19NPSR1MEN1
SCHEMBL5146765 0.68 KDM4E (0.47) MEN1KMT2A
SCHEMBL5148245 0.68 KDM4E (0.47) MEN1KMT2A
SCHEMBL5146662 0.68 KDM4E (0.47) MEN1KMT2A
SCHEMBL28763781 0.67 MEN1 (0.52) CYP2C9CYP2C19NPSR1MEN1RECQL
SCHEMBL27480376 0.67 HTR2A (0.54) THRATHRBSPHK1UNG
SCHEMBL449939 0.67 HTR2A (0.54) THRATHRBSPHK1UNG
SCHEMBL21634393 0.67 HTR2A (0.54) THRATHRBSPHK1UNG
SCHEMBL11204938 0.67 HTR2A (0.54) THRATHRBSPHK1UNG
SCHEMBL2493792 0.67 HTR2A (0.54) THRATHRBSPHK1UNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052711-A2 Silicone baby products SAR HOLDINGS INTERNATIONAL LIMITED (CN) 2009-04-29 EP disclosed