Sugi Predict

Sugi Predict / Compounds / SCHEMBL7605255

SCHEMBL7605255

SCHEMBL7605255

CCC(O)CCc1ccc(-c2cccc(COc3ccc(C(O)C(CCO)c4ccc(-c5cccc(COc6ccc(CO)c(CO)c6)c5)c(C)c4)c(CO)c3)c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 19/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.36
▸ VDR P11473 1/20 0.34
▸ PPARD Q03181 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
SCHEMBL7606371 0.88 FFAR1 (0.47) FFAR1FFAR4VDRPPARD
SCHEMBL7610505 0.82 VDR (0.43) FFAR1FFAR4VDRPPARD
SCHEMBL7606369 0.80 FFAR1 (0.43) FFAR1FFAR4VDR
SCHEMBL6566288 0.79 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL7610506 0.78 VDR (0.43) FFAR1FFAR4VDR
SCHEMBL7607829 0.77 FFAR1 (0.33) FFAR1FFAR4VDR
SCHEMBL7606646 0.77 FFAR1 (0.51) FFAR1FFAR4VDR
SCHEMBL7608281 0.76 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL7606177 0.76 VDR (0.54) FFAR1FFAR4VDRPPARD
SCHEMBL7607763 0.75 VDR (0.46) FFAR1FFAR4VDRPPARD

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