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SCHEMBL5570855

SCHEMBL5570855

C[C@@]12CCC[C@H]1[C@@H]1CC=C3C=CC(O)=C(O)[C@]3(C)[C@H]1CC2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.38
▸ SHBG P04278 1/20 0.38
▸ NR1I3 Q14994 1/20 0.35
▸ MBOAT4 Q96T53 1/20 0.34

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
SCHEMBL5575287 0.81 NR1I3 (0.37) CYP19A1SHBGNR1I3MBOAT4
SCHEMBL185406 0.80 CYP19A1 (0.43) CYP19A1MBOAT4
SCHEMBL1419457 0.77 CYP19A1 (0.43) CYP19A1SHBGMBOAT4
SCHEMBL5311967 0.76 NR1I3 (0.39) CYP19A1SHBGNR1I3MBOAT4
SCHEMBL4308160 0.75 SHBG (0.39) CYP19A1SHBGMBOAT4
SCHEMBL5310137 0.72 CYP19A1 (0.36) CYP19A1SHBGNR1I3MBOAT4
SCHEMBL5954494 0.72 SHBG (0.36) CYP19A1SHBGNR1I3MBOAT4
SCHEMBL5308809 0.72 CYP19A1 (0.40) CYP19A1SHBGNR1I3MBOAT4
SCHEMBL5570856 0.72 CYP19A1 (0.43) CYP19A1SHBGNR1I3MBOAT4
SCHEMBL9694102 0.72 CYP19A1 (0.46) CYP19A1

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-1807118-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2007-07-18 — — EP disclosed
WO-2006110172-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS.INC. (US) 2006-10-19 — — WO disclosed