SCHEMBL6562943

SCHEMBL6562943

CCC(O)c1cc(-c2cccc(OCc3ccc(C(O)O)cc3)c2)cs1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.40
GNA15 P30679 1/20 0.40
CTSA P10619 1/20 0.39
ALOX5 P09917 1/20 0.38
F9 P00740 3/20 0.37
F10 P00742 3/20 0.37
MAOB P27338 2/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 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
SCHEMBL6562934 0.84 VDR (0.43) FFAR1ALOX5F9F10MAOB
SCHEMBL6563103 0.74 FFAR1 (0.45) FFAR1GNA15ALOX5MAOBMRGPRX4
SCHEMBL7042563 0.74 VDR (0.42) FFAR1ALOX5MAOBMRGPRX4
SCHEMBL14866957 0.70 BCHE (0.52) FFAR1GNA15ALOX5MAOBMRGPRX4
SCHEMBL6566237 0.68 FFAR1 (0.42) FFAR1GNA15ALOX5MAOBMEN1
SCHEMBL20816018 0.68 KMT2A (0.57) ALOX5MAOBMEN1KMT2A
SCHEMBL4596162 0.68 KMT2A (0.57) ALOX5MAOBMEN1KMT2A
SCHEMBL6565086 0.67 FFAR1 (0.41) FFAR1GNA15ALOX5MAOB
SCHEMBL6566293 0.65 FFAR1 (0.51) FFAR1
SCHEMBL6158293 0.65 FFAR1 (0.41) FFAR1ALOX5MAOBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed