SCHEMBL6833918

SCHEMBL6833918

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 15/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.46
▸ SHBG P04278 3/20 0.46
▸ SERPINA6 P08185 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B3 P37058 2/20 0.46
▸ SNCA P37840 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SLC22A1 O15245 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ SRD5A1 P18405 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43

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
SCHEMBL9547847 0.88 CYP19A1 (0.64) CYP19A1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL10945246 0.84 CYP19A1 (0.60) CYP19A1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL10902815 0.84 CYP19A1 (0.60) CYP19A1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL10596342 0.84 CYP19A1 (0.60) CYP19A1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL10596334 0.84 CYP19A1 (0.60) CYP19A1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL23768839 0.81 CYP19A1 (0.50) CYP19A1LMNAPOLBALDH1A1SHBG
SCHEMBL15277683 0.81 CYP19A1 (0.50) CYP19A1LMNAPOLBALDH1A1SHBG
SCHEMBL10598801 0.81 CYP19A1 (0.50) CYP19A1LMNAPOLBALDH1A1SHBG
SCHEMBL17831183 0.80 CYP19A1 (1.00) CYP19A1SMN1; SMN2LMNAALDH1A1SHBG
SCHEMBL12413521 0.80 CYP19A1 (1.00) CYP19A1SMN1; SMN2LMNAALDH1A1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002483-A1 Use of ester and ether derivatives of 4-hydroxy-19-norandrosterone to increase the level of the anabolic/androgenic hormone 4-hydroxy-19-nortestosterone in humans Paternoster, Mr. Vince 2004-01-01 — — US disclosed
US-20030199486-A1 Ester and ether derivatives of 4-hydroxy-19-nortestosterone and a method for the regulation of athletic function in humans NUTRI SPORT PHARMACAL, INC. (US) 2003-10-23 — — US disclosed
EP-0277089-B1 11-BETA-ALKYNYL ESTRENES AND ESTRADIENES, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-12 — — EP disclosed
US-4870069-A POST-COITAL FERTILITY CONTROL SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-26 — — US disclosed
EP-0145493-B1 11-DIFLUOROMETHYL AND 11-FLUOROMETHYLENE STEROIDS THE UPJOHN COMPANY (US) 1989-03-08 — — EP disclosed
EP-0277089-A1 11-Beta-alkynyl estrenes and estradienes, their preparations and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 — — EP disclosed
US-4557867-A CONTRACEPTIVES THE UPJOHN COMPANY (US) 1985-12-10 — — US disclosed
EP-0145493-A2 11-Difluoromethyl and 11-fluoromethylene steroids THE UPJOHN COMPANY (US) 1985-06-19 — — EP disclosed
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