SCHEMBL7606748

SCHEMBL7606748

CCC(CCO)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.35
CD274 Q9NZQ7 4/20 0.33
RXRA P19793 3/20 0.33
RXRB P28702 2/20 0.33
PDCD1 Q15116 1/20 0.33
RXRG P48443 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CFD P00746 1/20 0.32
TPSB2 P20231 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGER1 P34995 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL7613344 0.89 RXRA (0.34) VDRCD274RXRARXRBPDCD1
SCHEMBL7612422 0.89 CD274 (0.40) VDRCD274PDCD1MAPTL3MBTL1
SCHEMBL7610502 0.83 VDR (0.42) VDRFFAR1
SCHEMBL7607761 0.82 VDR (0.45) VDRFFAR1
SCHEMBL7610503 0.82 VDR (0.42) VDRFFAR1
SCHEMBL7606753 0.82 VDR (0.35) VDRCD274RXRARXRBPDCD1
SCHEMBL7606174 0.82 VDR (0.53) VDRFFAR1
SCHEMBL7606369 0.79 FFAR1 (0.43) VDRFFAR1
SCHEMBL7607682 0.79 VDR (0.44) VDRFFAR1
SCHEMBL6563072 0.78 VDR (0.53) VDRCD274RXRARXRBPDCD1

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-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed