SCHEMBL7608533

SCHEMBL7608533

OCCCc1cc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.38
FFAR1 O14842 4/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
NR4A2 P43354 1/20 0.36
F2 P00734 1/20 0.36
PTGER4 P35408 1/20 0.35
AKR1B1 P15121 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F9 P00740 4/20 0.34
F10 P00742 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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 0.77 VDR (0.43) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL7608339 0.72 VDR (0.42) VDRMRGPRX4FFAR1FFAR4
SCHEMBL6564829 0.71 VDR (0.50) VDRMRGPRX4FFAR1CYP4F2CYP4A11
SCHEMBL7613338 0.70 VDR (0.44) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL7608503 0.70 VDR (0.44) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL6563099 0.70 VDR (0.49) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL6566409 0.70 VDR (0.49) VDRMRGPRX4FFAR1NR4A2F2
SCHEMBL7611180 0.70 MRGPRX4 (0.44) MRGPRX4FFAR1NR4A2PTGER4AKR1B1
SCHEMBL6564905 0.70 VDR (0.51) VDRMRGPRX4FFAR1NR4A2TSHR
SCHEMBL7606366 0.70 VDR (0.44) VDRMRGPRX4FFAR1NR4A2AKR1B1

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