SCHEMBL6158293

SCHEMBL6158293

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
MAOB P27338 1/20 0.37
MAPK1 P28482 2/20 0.37
ALOX5 P09917 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 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
SCHEMBL6155836 0.85 VDR (0.49) FFAR1MAOB
SCHEMBL6155637 0.80 MAOB (0.40) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL2785504 0.75 CYSLTR2 (0.40) FFAR1MAPK1ALOX5KMT2ASMN1; SMN2
SCHEMBL6155587 0.75 CYSLTR2 (0.44) FFAR1ALOX5KMT2ASMN1; SMN2MEN1
SCHEMBL6155253 0.75 VDR (0.47) MAOB
SCHEMBL6155616 0.74 ALOX5 (0.39) FFAR1MAPK1ALOX5KMT2ASMN1; SMN2
SCHEMBL6155510 0.73 MAPK1 (0.39) FFAR1MAPK1ALOX5KMT2ASMN1; SMN2
SCHEMBL6155248 0.72 CYSLTR2 (0.42) FFAR1MAPK1ALOX5KMT2ASMN1; SMN2
SCHEMBL6156153 0.72 VDR (0.47) FFAR1MAOB
SCHEMBL6155944 0.72 FFAR1 (0.41) FFAR1MAOBMAPK1ALOX5KMT2A

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 8 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-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO 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
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed