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Sugi Predict / Compounds / SCHEMBL9616583

SCHEMBL9616583

SCHEMBL9616583

CC[C@@]1(C)CC[C@H]2[C@H](C1C)[C@H](C)CC1=CC(=O)C(OC(C)=O)C[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.36
▸ AR P10275 7/20 0.36
▸ PGR P06401 6/20 0.35
▸ NR3C2 P08235 2/20 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
SCHEMBL9700995 0.88 CYP19A1 (0.34) CYP19A1
SCHEMBL9616803 0.84 PGR (0.40) CYP19A1ARPGR
SCHEMBL9616582 0.78 AR (0.36) ARPGRNR3C2
SCHEMBL9616799 0.75 SHBG (0.35) CYP19A1
SCHEMBL7702632 0.72 CYP19A1 (0.36) CYP19A1ARPGRNR3C2
SCHEMBL8083275 0.68 CYP19A1 (0.49) CYP19A1
SCHEMBL3660113 0.67 CYP19A1 (0.58) CYP19A1
SCHEMBL8083240 0.67 CYP19A1 (0.49) CYP19A1
SCHEMBL6244893 0.67 SERPINA6 (0.41) CYP19A1ARPGR
SCHEMBL7796339 0.66 CYP19A1 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500899-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS. STANFORD RES INST INT (US) 1992-09-02 — — EP claimed
WO-1992004309-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS SRI INTERNATIONAL (US) 1992-03-19 — — WO claimed
EP-0500899-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS. STANFORD RES INST INT (US) 1992-09-02 — — EP disclosed
WO-1992004309-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS SRI INTERNATIONAL (US) 1992-03-19 — — WO disclosed