Sugi Predict

Sugi Predict / Compounds / SCHEMBL6562933

SCHEMBL6562933

SCHEMBL6562933

CCC(=CC(=O)O)c1ccc(COc2ccc(C(C)(C)O[SiH2]C(C)(C)C)c(C(C)(C)O[SiH2]C(C)(C)C)c2)s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ FFAR1 O14842 4/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6564671 0.89 MRGPRX4 (0.30) MRGPRX4
SCHEMBL6564649 0.87 — —
SCHEMBL6566209 0.87 FFAR1 (0.34) MRGPRX4FFAR1
SCHEMBL6564820 0.86 — —
SCHEMBL6566351 0.86 DAO (0.30) —
SCHEMBL6566220 0.86 POLB (0.37) MRGPRX4FFAR1HDAC4HDAC6
SCHEMBL6566426 0.85 FFAR1 (0.31) FFAR1
SCHEMBL6562828 0.84 — —
SCHEMBL6566304 0.82 VDR (0.39) —
SCHEMBL7610182 0.81 — —

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-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 — — EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 — — US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 — — EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 — — WO disclosed