SCHEMBL8209314

SCHEMBL8209314

CC1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 19/20 1.00
▸ ALDH1A1 P00352 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ SHBG P04278 2/20 0.67
▸ SERPINA6 P08185 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ HSD17B3 P37058 2/20 0.67
▸ SNCA P37840 2/20 0.67
▸ BLM P54132 2/20 0.67
▸ PMP22 Q01453 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ TSHR P16473 1/20 0.67

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
SCHEMBL7736120 1.00 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7736116 1.00 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL247069 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL13499082 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL17184306 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9127403 0.86 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3486959 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL10936176 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9127394 0.86 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL4636604 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013678-A1 7BETA-METHYLANDROST-4-ENE-3,17-DIONE AS AROMATASE INHIBITOR UNIVERSIDADE DE COIMBRA (PT) 2024-01-18 — — WO disclosed
EP-1056768-A2 NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 2000-12-06 — — EP disclosed
WO-1999033859-A9 NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1999-09-23 — — WO disclosed
WO-1999033859-A2 NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1999-07-08 — — WO disclosed
WO-1993006066-A1 METHYLATING OR ETHYLATING AGENT AND PROCESS FOR 1,4-ADDING A METHYL OR ETHYL GROUP TO AN α,β-UNSATURATED KETO COMPOUND __ SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 — — WO disclosed
EP-0534582-A1 Methylation or ethylation agent and process for an 1,4-addition of a methyl- or ethylgroup to an alpha, beta-insaturated ketogroup SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-31 — — EP disclosed
EP-0528876-A1 2-IODO-3-KETO-DELTA?4 -STEROIDS, PROCESS FOR PRODUCING THEM AND THEIR FURTHER PROCESSING. SCHERING AG (DE) 1993-03-03 — — EP disclosed
WO-1991017175-A1 2-IODO-3-KETO-DELTA4-STEROIDS, PROCESS FOR PRODUCING THEM AND THEIR FURTHER PROCESSING SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-11-14 — — WO disclosed
EP-0260975-A1 4-Substituted 6- alkylidenandrostene-3,17-dione derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-03-23 — — EP disclosed
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