SCHEMBL30944712

SCHEMBL30944712

O=C1C=C[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C(O)O)CCC[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.32
▸ SERPINA6 P08185 2/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ THRB P10828 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
SCHEMBL3652905 0.78 CYP19A1 (0.53) CYP19A1SERPINA6SLC22A1ALDH1A1SHBG
SCHEMBL9543840 0.78 CYP19A1 (0.55) CYP19A1SERPINA6SLC22A1ALDH1A1SHBG
SCHEMBL4940493 0.72 ESR1 (0.51) CYP19A1SERPINA6SLC22A1ALDH1A1SHBG
SCHEMBL11017258 0.71 CYP19A1 (0.60) CYP19A1SERPINA6ALDH1A1SHBG
SCHEMBL6437488 0.71 SHBG (0.62) CYP19A1SERPINA6SLC22A1ALDH1A1SHBG
SCHEMBL10705601 0.68 CYP19A1 (0.56) CYP19A1SERPINA6SLC22A1ALDH1A1SHBG
SCHEMBL19073470 0.68 LMNA (0.38) CYP19A1ALDH1A1SHBG
SCHEMBL24476668 0.67 CYP3A4 (0.66) ALDH1A1SHBGTHRB
SCHEMBL13415930 0.66 CYP17A1 (0.52) CYP19A1SERPINA6ALDH1A1
SCHEMBL3127415 0.66 SHBG (0.62) CYP19A1SERPINA6SLC22A1ALDH1A1SHBG

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-4637929-A1 COADMINISTRATION OF ESTROGEN WITH ESTROGEN RECEPTOR MODULATOR OR DEGRADER OR ER TARGETED PROTAC FOR THE TREATMENT OF ESTROGEN RESPONSIVE CANCERS Duke University (US) 2025-10-29 — — EP disclosed
WO-2024138077-A1 COADMINISTRATION OF ESTROGEN WITH ESTROGEN RECEPTOR MODULATOR OR DEGRADER OR ER TARGETED PROTAC FOR THE TREATMENT OF ESTROGEN RESPONSIVE CANCERS DUKE UNIVERSITY (US) 2024-06-27 — — WO disclosed
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