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SCHEMBL7810175

SCHEMBL7810175

COc1ccc2cc(C(O)(c3c[nH]cn3)C(C)C)ccc2c1C(C)O.COc1ccc2cc(C(O)(c3c[nH]cn3)C(C)C)ccc2c1C(C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.39
▸ CYP17A1 P05093 13/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C8 P10632 1/20 0.33

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
SCHEMBL5749686 0.97 CYP3A4 (0.41) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5750653 0.90 CYP3A4 (0.46) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL7820806 0.86 CYP3A4 (0.45) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5753408 0.84 CYP3A4 (0.47) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5751531 0.80 CYP3A4 (0.47) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5678315 0.79 CYP3A4 (0.47) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5752861 0.79 CYP3A4 (0.47) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5753809 0.78 CYP3A4 (0.47) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5751516 0.78 CYP3A4 (0.47) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8
SCHEMBL5751427 0.77 CYP3A4 (0.44) CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 — — EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 — — WO disclosed