SCHEMBL13786141

SCHEMBL13786141

CCc1cc(C(CC)(CC)c2ccc(C(=O)O)s2)ccc1CCC(C)(N=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 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
SCHEMBL13785989 0.91 ESR1 (0.33) HPGDTSHRMAPK1ATMNPSR1
SCHEMBL13786309 0.83 DAO (0.36) DAOHPGDTSHRMAPK1ATM
SCHEMBL13786250 0.81 DAO (0.38) DAOHPGDTSHRMAPK1ATM
SCHEMBL3392513 0.72 HDAC3 (0.38) DAOHPGDTSHRMAPK1ATM
SCHEMBL13785988 0.71 HDAC3 (0.31) HPGDTSHRMAPK1ATMNPSR1
SCHEMBL13366755 0.69 HPGD (0.34) HPGDTSHRMAPK1ATMNPSR1
SCHEMBL3390961 0.69 HDAC3 (0.36) DAOHPGDTSHRMAPK1ATM
SCHEMBL3396321 0.69 HDAC6 (0.50)
SCHEMBL13786294 0.69 HDAC3 (0.42) DAOHPGDTSHRMAPK1ATM
SCHEMBL13366753 0.68 VDR (0.35) HPGDTSHRMAPK1ATMNPSR1

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-1511740-B1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-07-08 EP disclosed