SCHEMBL6155637

SCHEMBL6155637

CC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
APP P05067 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
BCL2 P10415 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CACNA1B Q00975 1/20 0.37

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
SCHEMBL4169952 0.86 APP (0.40) MAOBAPPNR4A1NR4A2NR4A3
SCHEMBL6156481 0.84 MAOB (0.39) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL6154549 0.82 VDR (0.49) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL6158293 0.80 FFAR1 (0.41) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL6154726 0.79 APP (0.39) MAOBAPPNR4A1NR4A2NR4A3
SCHEMBL6156388 0.75 ALOX5 (0.39) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL6155253 0.73 VDR (0.47) MAOBNR4A1NR4A2NR4A3
SCHEMBL6156001 0.73 VDR (0.41) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL6155445 0.73 NR4A1 (0.40) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL2107020 0.72 CYP4F2 (0.46) APPNR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP claimed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US claimed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed