SCHEMBL7604643

SCHEMBL7604643

CCC(CCO)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.36
FFAR1 O14842 6/20 0.36
PPARD Q03181 1/20 0.36
PTGER4 P35408 1/20 0.35
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MAOB P27338 2/20 0.34
NR4A2 P43354 1/20 0.34
F2 P00734 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL7606363 0.88 VDR (0.43) VDRMRGPRX4FFAR1PTGER4RXRA
SCHEMBL7608523 0.85 VDR (0.41) VDRFFAR1FFAR4
SCHEMBL7610502 0.83 VDR (0.42) VDRFFAR1FFAR4
SCHEMBL7604645 0.82 VDR (0.42) VDRMRGPRX4FFAR1PPARDPTGER4
SCHEMBL7608336 0.79 VDR (0.42) VDRMRGPRX4FFAR1ALOX5
SCHEMBL7605313 0.79 VDR (0.40) VDRMRGPRX4FFAR1ALOX5
SCHEMBL7610926 0.78 VDR (0.42) VDRFFAR1PPARDPTGER4FFAR4
SCHEMBL7606366 0.78 VDR (0.44) VDRMRGPRX4FFAR1PPARDMAOB
SCHEMBL6564194 0.77 VDR (0.50) VDRMRGPRX4FFAR1PTGER4F9
SCHEMBL7605149 0.77 FFAR1 (0.53) VDRFFAR1

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-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
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