SCHEMBL6564038

SCHEMBL6564038

CCC1(c2ccc(CCc3ccc(C(=O)O)c(C(=O)O)c3)s2)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.36
KAT8 Q9H7Z6 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.33
SORT1 Q99523 1/20 0.33
EGFR P00533 1/20 0.33
CFD P00746 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
METAP2 P50579 2/20 0.31
PIM1 P11309 1/20 0.31
RARB P10826 3/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
MCL1 Q07820 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6888756 0.85 ALDH1A1 (0.35) KDM4ETSHRTDP1
SCHEMBL6564995 0.85 LCK (0.35) LCKKAT8PPARAPPARGSORT1
SCHEMBL6563032 0.81 ALDH1A1 (0.37) KDM4ETSHRTDP1
SCHEMBL3283097 0.80 KAT8 (0.39) LCKKAT8PPARAPPARGSORT1
SCHEMBL27555319 0.77 CDC25A (0.33) KDM4ETDP1
SCHEMBL6562945 0.76 PTPN1 (0.36) LCKKDM4EPIM1
SCHEMBL27503233 0.75 MEN1 (0.34) TDP1
SCHEMBL6155690 0.72 LCK (0.38) LCKKAT8PPARASORT1EGFR
SCHEMBL29404777 0.71 LCK (0.62) LCKKAT8PPARAPPARGSORT1
SCHEMBL23103 0.71 LCK (0.62) LCKKAT8PPARAPPARGSORT1

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-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed