SCHEMBL13786308

SCHEMBL13786308

CCC(CC)(c1ccc(CCC(=O)C(C)(C)C)c(C(C)C)c1)c1ccc(C(=O)OC)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
VDR P11473 6/20 0.33
HDAC3 O15379 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
AR P10275 2/20 0.31
LMNA P02545 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3391337 0.82 VDR (0.50) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3396365 0.81 NPSR1 (0.52) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL13786294 0.77 HDAC3 (0.42) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3394914 0.76 HDAC6 (0.49) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3392813 0.75 VDR (0.53) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3395722 0.74 VDR (0.50) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3391108 0.73 VDR (0.67) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL13786182 0.73 NPSR1 (0.48) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3395067 0.73 ESR1 (0.56) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL3394907 0.73 HPGD (0.52) NPSR1HPGDTSHRMAPK1ATM

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