SCHEMBL6155690

SCHEMBL6155690

CC1(c2cccc(CCc3ccc(C(=O)O)c(C(=O)O)c3)c2)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SORT1 Q99523 1/20 0.37
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
PIM1 P11309 1/20 0.35
HNF4A P41235 1/20 0.35
KAT8 Q9H7Z6 2/20 0.35
EGFR P00533 1/20 0.35
PPARA Q07869 1/20 0.35
AMPD2 Q01433 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CDC25B P30305 1/20 0.34
CASP6 P55212 1/20 0.34
RCE1 Q9Y256 1/20 0.34
RXRA P19793 2/20 0.34
TSHR P16473 1/20 0.34
CFD P00746 1/20 0.33
DAO P14920 1/20 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
SCHEMBL7770806 0.87 VDR (0.36) SORT1CYP26A1CYP26B1ALDH1A1
SCHEMBL7770803 0.86 ALDH1A1 (0.34) CYP26A1CYP26B1ALDH1A1
SCHEMBL3283097 0.85 KAT8 (0.39) LCKHCAR3HCAR2SORT1CYP26A1
SCHEMBL6155882 0.82 MAOB (0.46)
SCHEMBL7770800 0.79 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL7770797 0.79 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1706364 0.78 AKR1B1 (0.43) HCAR3HCAR2CYP26A1CYP26B1ALDH1A1
SCHEMBL6154431 0.77 HDAC1 (0.37) ALDH1A1CFD
SCHEMBL6155682 0.77 PTPN1 (0.43) LCKCYP26A1PIM1HNF4A
SCHEMBL6155685 0.77 PTPN1 (0.43) LCKCYP26A1PIM1HNF4A

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 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