SCHEMBL6018282

SCHEMBL6018282

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@]3(C)[C@@H](O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.77
CYP2C9 P11712 2/20 0.77
HIF1A Q16665 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
LMNA P02545 2/20 0.77
NR3C1 P04150 1/20 0.77
PGR P06401 1/20 0.77
CYP19A1 P11511 7/20 0.71
SHBG P04278 1/20 0.71
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
ALDH1A1 P00352 1/20 0.64
SERPINA6 P08185 1/20 0.55
AR P10275 1/20 0.54
HSD11B1 P28845 2/20 0.52
HSD11B2 P80365 2/20 0.52
NR3C2 P08235 1/20 0.52
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
OR51E2 Q9H255 1/20 0.50

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
SCHEMBL6018287 1.00 CYP3A4 (0.77) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
SCHEMBL13752943 0.90 CYP3A4 (0.70) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
SCHEMBL4110734 0.90 CYP3A4 (0.70) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
SCHEMBL4110739 0.90 CYP3A4 (0.70) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
Medrysone SCHEMBL29866793 0.87 CYP3A4 (1.00) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
Medrysone SCHEMBL12998543 0.87 CYP3A4 (1.00) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
Medrysone SCHEMBL3048275 0.87 CYP3A4 (1.00) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
Medrysone SCHEMBL4493 0.87 CYP3A4 (1.00) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
Medrysone SCHEMBL13054978 0.87 CYP3A4 (1.00) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA
SCHEMBL8668298 0.85 SMN1; SMN2 (0.80) CYP3A4CYP2C9HIF1ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018648-B2 Transdermal device for administering testosterone or one of the derivatives thereof PIERRE FABRE MEDICAMENT (FR) 2006-03-28 US disclosed
US-20050256051-A1 Nuclear receptor-mediated introduction of a PNA into cell nuclei THE POPULATION COUNCIL, INC. (US) 2005-11-17 US disclosed
US-20050100586-A1 Transdermal device for administering testosterone or one of the derivatives thereof PIERRE FABRE MEDICAMENT (FR) 2005-05-12 US disclosed
EP-1178806-B1 TRANSDERMAL DEVICE FOR THE APPLICATION OF TESTOSTERONE OR ONE OF THE DERIVATIVES THEREOF PF MEDICAMENT (FR) 2004-09-01 EP disclosed
US-6767902-B2 Androgen as a male contraceptive and non-contraceptive androgen replacement THE POPULATION COUNCIL, INC. 2004-07-27 US disclosed
US-20040126418-A1 Transdermal administration of MENT THE POPULATION COUNCIL, INC. 2004-07-01 US disclosed
US-20030096739-A1 Nuclear receptor-mediated introduction of a PNA into cell nuclei POPULATION COUNCIL, INC., THE 2003-05-22 US disclosed
US-20020193359-A1 Administering to a non-sterile male subject a predetermined amount of an androgen which is sufficient to render male subject reversibly sterile for a predetermined period of time POPULATION COUNCIL, INC., THE 2002-12-19 US disclosed
EP-1178806-A1 TRANSDERMAL DEVICE FOR THE APPLICATION OF TESTOSTERONE OR ONE OF THE DERIVATIVES THEREOF PIERRE FABRE MEDICAMENT (FR) 2002-02-13 EP disclosed
US-20020012694-A1 TRANSDERMAL ADMINISTRATION OF MENT POPULATION COUNCIL, INC., THE, A CORP. OF NY 2002-01-31 US disclosed
WO-2000071133-A1 TRANSDERMAL DEVICE FOR THE APPLICATION OF TESTOSTERONE OR ONE OF THE DERIVATIVES THEREOF PIERRE FABRE MEDICAMENT (FR) 2000-11-30 WO disclosed
US-5342834-A Administering testosterone derivatives THE POPULATION COUNCIL, INC. (US) 1994-08-30 US disclosed