SCHEMBL6017583

SCHEMBL6017583

CC1C[C@@H]2[C@H](C(O)C[C@@]3(C)[C@H]2CC[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.78
HIF1A Q16665 4/20 0.78
CYP2C9 P11712 2/20 0.78
ALDH1A1 P00352 2/20 0.78
TSHR P16473 1/20 0.78
HSD17B10 Q99714 1/20 0.78
LMNA P02545 5/20 0.64
NR3C1 P04150 5/20 0.64
PGR P06401 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C19 P33261 1/20 0.57
CYP19A1 P11511 5/20 0.54
SHBG P04278 2/20 0.54
AR P10275 2/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51

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
SCHEMBL6017581 1.00 CYP3A4 (0.78) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL13069730 0.88 HIF1A (1.00) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL3406165 0.88 HIF1A (0.85) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL3395657 0.88 HIF1A (1.00) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL3395660 0.88 HIF1A (1.00) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL8637937 0.88 HIF1A (1.00) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL17714998 0.88 HIF1A (1.00) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL9623707 0.87 CYP3A4 (0.71) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL9623710 0.87 CYP3A4 (0.71) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10974542 0.87 CYP3A4 (0.71) CYP3A4HIF1ACYP2C9ALDH1A1TSHR

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 11 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-20040132698-A1 Androgen as a male contraceptive and non-contraceptive androgen replacement MOO-YOUNG ALFRED J (US) 2004-07-08 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
US-20020012694-A1 TRANSDERMAL ADMINISTRATION OF MENT POPULATION COUNCIL, INC., THE, A CORP. OF NY 2002-01-31 US disclosed
US-5342834-A Administering testosterone derivatives THE POPULATION COUNCIL, INC. (US) 1994-08-30 US disclosed