SCHEMBL3127415

SCHEMBL3127415

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC[C@@]3(C(O)O)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 7/20 0.62
▸ LMNA P02545 7/20 0.62
▸ HSD17B10 Q99714 5/20 0.62
▸ CYP19A1 P11511 5/20 0.62
▸ SERPINA6 P08185 5/20 0.62
▸ TSHR P16473 5/20 0.62
▸ SNCA P37840 4/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ MAPK1 P28482 4/20 0.62
▸ PMP22 Q01453 3/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.62
▸ HSD17B3 P37058 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ CYP17A1 P05093 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ NR3C1 P04150 4/20 0.60
▸ PGR P06401 4/20 0.60
▸ ADRA1A P35348 2/20 0.60

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
SCHEMBL15380944 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL950792 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL950793 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL14455585 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL13973080 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL18646434 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL11860013 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL14532645 0.81 CYP19A1 (0.69) SHBGLMNAHSD17B10CYP19A1SERPINA6
SCHEMBL183701 0.81 CYP19A1 (0.60) CYP19A1
SCHEMBL9157360 0.79 SHBG (0.66) SHBGLMNAHSD17B10CYP19A1SERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018169-A2 USE OF 4,17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS Teichmann, Alexander Tobias (DE) 2009-01-28 — — EP claimed
WO-2007131736-A2 USE OF 4, 17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS TEICHMANN ALEXANDER TOBIAS (DE) 2007-11-22 — — WO claimed
EP-2018169-B1 USE OF 4,17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS MABEL GMBH (DE) 2010-11-10 — — EP disclosed
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 — — US disclosed
WO-2009062683-A1 C-19 STEROIDS FOR THERAPEUTIC USES ERLACOS GMBH (DE) 2009-05-22 — — WO disclosed
EP-2018169-A2 USE OF 4,17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS Teichmann, Alexander Tobias (DE) 2009-01-28 — — EP disclosed
EP-2018169-A2 USE OF 4,17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS Teichmann, Alexander Tobias (DE) 2009-01-28 — — EP disclosed
EP-2018170-A2 MEDICATION AGAINST BREAST CANCER AND RELATED DISEASES Teichmann, Alexander Tobias (DE) 2009-01-28 — — EP disclosed
EP-2005179-A2 FLUORESCENCE BASED DETECTION OF SUBSTANCES University of East Anglia (GB) 2008-12-24 — — EP disclosed
US-20080075772-A1 PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS ACCU-BREAK TECHNOLOGIES, INC. 2008-03-27 — — US disclosed
WO-2007131736-A3 USE OF 4, 17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS TEICHMANN ALEXANDER TOBIAS (DE) 2008-03-06 — — WO disclosed
WO-2007131737-A2 MEDICATION AGAINST BREAST CANCER AND RELATED DISEASES TEICHMANN ALEXANDER TOBIAS (DE) 2007-11-22 — — WO disclosed
WO-2007131736-A2 USE OF 4, 17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS TEICHMANN ALEXANDER TOBIAS (DE) 2007-11-22 — — WO disclosed
WO-2007131736-A2 USE OF 4, 17 BETA-DIHYDROXYANDROST-4-ENE-3-ONE FOR TREATING CANCERS TEICHMANN ALEXANDER TOBIAS (DE) 2007-11-22 — — WO disclosed
WO-2007110605-A2 FLUORESCENCE BASED DETECTION OF SUBSTANCES UNIVERSITY OF EAST ANGLIA (GB) 2007-10-04 — — WO disclosed
EP-0759928-A1 SYNTHESIS OF 17BETA-CYANO-3-ETHOXY-17ALPHA-HYDROXY-6-METHYLANDROSTA-3,5,9(11)-TRIENE THE UPJOHN COMPANY (US) 1997-03-05 — — EP disclosed
WO-1995030684-A1 SYNTHESIS OF 17β-CYANO-3-ETHOXY-17α-HYDROXY-6-METHYLANDROSTA-3,5,9(11)-TRIENE PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 — — WO disclosed
US-5352809-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids GIST-BROCADES N.V. (NL) 1994-10-04 — — US disclosed
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