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Sugi Predict / Compounds / SCHEMBL9009470

SCHEMBL9009470

SCHEMBL9009470

C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3C(=C)/C=C/COCC(=O)OC(C)(C)C)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 14/20 0.38
▸ CYP24A1 Q07973 4/20 0.36
▸ CYP27B1 O15528 1/20 0.35

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
SCHEMBL9009438 0.91 VDR (0.40) VDRCYP24A1CYP27B1
SCHEMBL8992982 0.88 VDR (0.40) VDRCYP24A1CYP27B1
SCHEMBL8992810 0.86 VDR (0.38) VDRCYP24A1CYP27B1
SCHEMBL8529675 0.86 VDR (0.39) VDRCYP24A1CYP27B1
SCHEMBL8527414 0.85 VDR (0.41) VDRCYP24A1CYP27B1
SCHEMBL8528252 0.85 VDR (0.37) VDRCYP24A1CYP27B1
SCHEMBL8992758 0.84 VDR (0.42) VDRCYP24A1CYP27B1
SCHEMBL9009455 0.83 VDR (0.39) VDRCYP24A1CYP27B1
SCHEMBL9009459 0.83 VDR (0.39) VDRCYP24A1CYP27B1
SCHEMBL8527278 0.83 VDR (0.42) VDRCYP24A1CYP27B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585368-A SKIN DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-17 — — US disclosed
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