Sugi Predict

Sugi Predict / Compounds / SCHEMBL7812372

SCHEMBL7812372

SCHEMBL7812372

CC(C)Oc1ccc2cc(C(O)(c3c[nH]cn3)C(C)C)ccc2c1.CC(C)Oc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.41
▸ CYP17A1 P05093 12/20 0.41
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ FGFR1 P11362 1/20 0.32
▸ RORC P51449 1/20 0.32

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
SCHEMBL5750792 0.92 CYP3A4 (0.44) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL5751467 0.86 CYP3A4 (0.43) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL7810651 0.86 ALOX5 (0.38) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL5753350 0.85 CYP3A4 (0.53) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL5751497 0.83 CYP3A4 (0.40) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL5750734 0.83 CYP17A1 (0.48) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL5753336 0.82 CYP3A4 (0.39) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL5679939 0.81 CYP17A1 (0.44) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL5752917 0.81 CYP17A1 (0.46) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2
SCHEMBL5751469 0.80 CYP17A1 (0.45) CYP3A4CYP17A1CYP2C9CYP2C19SIRT2

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