SCHEMBL6157330

SCHEMBL6157330

CC(=O)c1cccc(CCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.50
PKM P14618 1/20 0.47
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
MAOB P27338 9/20 0.44
IL4I1 Q96RQ9 1/20 0.43
LMNA P02545 1/20 0.42
MAOA P21397 3/20 0.41

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
SCHEMBL3280099 0.86 VDR (0.53) VDRCYP4F2CYP4A11
SCHEMBL6884474 0.82 KMT2A (0.52) LMNA
SCHEMBL12235066 0.81 CYP4F2 (0.67) CYP4F2CYP4A11MAOBIL4I1LMNA
SCHEMBL9660695 0.81 MAOB (0.58) CYP4F2CYP4A11MAOBIL4I1LMNA
SCHEMBL1481937 0.81 PRSS1 (0.55) PKMCYP4F2CYP4A11MAOBIL4I1
SCHEMBL6155391 0.80 MAOB (0.62) PKMMAOBMAOA
SCHEMBL18073734 0.79 PKM (0.71) PKMLMNA
SCHEMBL6756665 0.78 VDR (0.47) VDR
SCHEMBL18095253 0.78 CYP4A11 (0.65) CYP4F2CYP4A11MAOBIL4I1LMNA
SCHEMBL4958280 0.78 KAT6A (0.51) CYP4F2CYP4A11MAOBIL4I1LMNA

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