SCHEMBL7608665

SCHEMBL7608665

CCCc1ccc(COc2ccc(CO)c(CO)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.42
FFAR1 O14842 1/20 0.39
CNR2 P34972 8/20 0.36
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7612738 0.81 FFAR1 (0.38) VDRFFAR1RAB9AKMT2AMAOB
SCHEMBL6564771 0.79 POLB (0.41) VDRFFAR1RAB9AKMT2AMAOB
SCHEMBL6564918 0.75 VDR (0.31) VDR
SCHEMBL16962588 0.73 NQO1 (0.45) VDRRAB9AKMT2ANPC1TDP1
SCHEMBL16523547 0.73 LTA4H (0.47) CNR2KMT2AL3MBTL1
SCHEMBL6566427 0.71 VDR (0.51) VDRFFAR1RAB9AMAOBPOLB
SCHEMBL6562856 0.71 MGMT (0.35) VDRMAOB
SCHEMBL5103040 0.70 HPGD (0.43) KMT2AL3MBTL1TSHR
SCHEMBL6562954 0.70 VDR (0.57) VDRRAB9AMAOBPOLBL3MBTL1
SCHEMBL6564840 0.70 VDR (0.34) VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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