SCHEMBL3280116

SCHEMBL3280116

CCC(=CC#CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.47
MAOB P27338 7/20 0.41
NR4A2 P43354 4/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
F2 P00734 2/20 0.37
MAOA P21397 2/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL3280128 0.84 VDR (0.44) VDR
SCHEMBL3280110 0.84 VDR (0.67) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280113 0.84 VDR (0.67) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280117 0.84 VDR (0.67) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL6155253 0.80 VDR (0.47) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280129 0.80 VDR (0.72) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL4412728 0.79 VDR (0.44) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3285832 0.79 VDR (0.42) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3285825 0.79 VDR (0.49) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280269 0.79 VDR (0.49) VDRMAOBNR4A2NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US claimed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US claimed
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed