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SCHEMBL6155760

SCHEMBL6155760

CC(=CC=CC(C)(C)O)c1cccc(OCc2ccc(C(C)(C)O[SiH2]C(C)(C)C)c(C(C)(C)O[SiH2]C(C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.42
▸ F2 P00734 8/20 0.39
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 1/20 0.37
▸ MAOB P27338 8/20 0.36
▸ MAOA P21397 2/20 0.36

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
SCHEMBL6156249 0.93 F2 (0.39) VDRF2MAOB
SCHEMBL6158586 0.86 VDR (0.35) VDR
SCHEMBL6154757 0.85 VDR (0.44) VDRF2MAOB
SCHEMBL4402415 0.81 VDR (0.66) VDRF2NR4A1NR4A2NR4A3
SCHEMBL6155650 0.80 MRGPRX4 (0.42) MAOB
SCHEMBL6155584 0.79 VDR (0.36) VDR
SCHEMBL2107507 0.78 VDR (0.66) VDRF2NR4A1NR4A2NR4A3
SCHEMBL2107505 0.78 VDR (0.66) VDRF2NR4A1NR4A2NR4A3
SCHEMBL2107509 0.77 F2 (0.44) VDRF2NR4A1NR4A2NR4A3
SCHEMBL7775774 0.76 VDR (0.43) VDRF2NR4A1NR4A2NR4A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 — — EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 — — EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 — — WO disclosed