SCHEMBL7609494

SCHEMBL7609494

CC(C)(O)Cc1cccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c1.CCC(O)(CC)Cc1cccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.49
MRGPRX4 Q96LA9 2/20 0.39
F2 P00734 2/20 0.39
NR4A2 P43354 1/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 6/20 0.38
PPARD Q03181 2/20 0.38
ALOX5 P09917 1/20 0.36
AKR1B1 P15121 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CFD P00746 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6565057 0.96 VDR (0.53) VDRMRGPRX4F2NR4A2MAOB
SCHEMBL6563099 0.94 VDR (0.49) VDRMRGPRX4F2NR4A2MAOB
SCHEMBL6562899 0.89 VDR (0.53) VDRMRGPRX4F2NR4A2FFAR1
SCHEMBL27568058 0.84 TSHR (0.46) VDRMRGPRX4F2NR4A2MAOB
SCHEMBL7609504 0.83 VDR (0.41) VDRMRGPRX4F2NR4A2FFAR1
SCHEMBL6564829 0.79 VDR (0.50) VDRMRGPRX4F2NR4A2MAOB
SCHEMBL6564607 0.78 VDR (0.57) VDRMRGPRX4F2NR4A2MAOB
SCHEMBL6566409 0.78 VDR (0.49) VDRMRGPRX4F2NR4A2MAOB
SCHEMBL6564194 0.76 VDR (0.50) VDRMRGPRX4F2FFAR1
SCHEMBL7608503 0.76 VDR (0.44) VDRMRGPRX4F2NR4A2MAOB

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 claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed