SCHEMBL8083229

SCHEMBL8083229

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C[C@H](O)[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 16/20 0.63
▸ LMNA P02545 3/20 0.49
▸ SHBG P04278 3/20 0.49
▸ SERPINA6 P08185 3/20 0.49
▸ PMP22 Q01453 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HSD17B3 P37058 2/20 0.49
▸ SNCA P37840 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ GUSB P08236 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ G6PD P11413 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPBAR1 Q8TDU6 1/20 0.46

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
SCHEMBL6832271 1.00 CYP19A1 (0.63) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL3658066 0.87 CYP19A1 (0.63) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL7702309 0.87 CYP19A1 (0.63) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL8209833 0.84 CYP19A1 (0.59) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL9634694 0.83 CYP19A1 (0.58) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL15515737 0.83 CYP19A1 (0.44) CYP19A1LMNASHBGSERPINA6ALDH1A1
SCHEMBL9634417 0.83 CYP19A1 (0.58) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL1422477 0.83 CYP19A1 (0.44) CYP19A1LMNASHBGSERPINA6ALDH1A1
SCHEMBL3660111 0.83 CYP19A1 (0.55) CYP19A1MAPK1HSD17B10TSHRCYP3A4
SCHEMBL7757073 0.83 CYP19A1 (0.44) CYP19A1LMNASHBGSERPINA6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042355-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2000-10-11 — — EP disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 — — WO disclosed
EP-0920441-A1 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENT SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-09 — — EP disclosed
WO-1998007740-A1 7α-(κ-AMINOALKYL)ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7α-(κ-AMINOALKYL)ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 — — WO disclosed
WO-1993025569-A1 OESTRADIOL PRODRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-12-23 — — WO disclosed
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