SCHEMBL6158612

SCHEMBL6158612

CC(C)(C)[Si](C)(C)Oc1cccc(C=Cc2cccc(Br)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
HSD17B3 P37058 1/20 0.41
RELA Q04206 1/20 0.41
CHRNA7 P36544 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
NFE2L2 Q16236 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.39
NQO2 P16083 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3394945 0.90 CHRNA7 (0.49) HSP90AA1HSP90AB1HSD17B3RELACHRNA7
SCHEMBL232409 0.85 CA12 (0.45) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL23923707 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1RELACA12CA1
SCHEMBL23923708 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1RELACA12CA1
SCHEMBL4576483 0.84 CA12 (0.44) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL9189631 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1RELACA12CA1
SCHEMBL20573442 0.81 HSP90AA1 (0.52) HSP90AA1HSP90AB1RELACA12CA1
SCHEMBL1162277 0.81 HSP90AA1 (0.49) HSP90AA1HSP90AB1RELACA12CA1
SCHEMBL1010834 0.80 HSP90AA1 (0.50) HSP90AA1HSP90AB1CA12CA1CA9
SCHEMBL413810 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1RELACA12CA1

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US 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