SCHEMBL5157957

SCHEMBL5157957

CCC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.69
LMNA P02545 6/20 0.69
ESR2 Q92731 5/20 0.69
KMT2A Q03164 5/20 0.69
MAPT P10636 4/20 0.69
MEN1 O00255 4/20 0.69
CYP3A4 P08684 4/20 0.69
HSD17B10 Q99714 3/20 0.69
PGR P06401 3/20 0.69
AR P10275 3/20 0.69
STS P08842 3/20 0.69
TSHR P16473 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
HIF1A Q16665 2/20 0.69
NR3C1 P04150 2/20 0.69
SHBG P04278 2/20 0.69
SERPINA6 P08185 2/20 0.69
SLC6A4 P31645 2/20 0.69

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
SCHEMBL5158101 0.93 ESR1 (0.70) ESR1LMNAESR2KMT2AMAPT
SCHEMBL11783196 0.92 STS (0.69) ESR1LMNAESR2KMT2AMAPT
SCHEMBL17817385 0.91 STS (0.67) ESR1LMNAESR2KMT2AMAPT
SCHEMBL11788270 0.91 STS (0.67) ESR1LMNAESR2KMT2AMAPT
SCHEMBL11780732 0.91 STS (0.67) ESR1LMNAESR2KMT2AMAPT
SCHEMBL5158676 0.91 ESR1 (0.72) ESR1LMNAESR2KMT2AMAPT
SCHEMBL14395341 0.91 ESR1 (0.72) ESR1LMNAESR2KMT2AMAPT
SCHEMBL13345142 0.91 ESR1 (0.72) ESR1LMNAESR2KMT2AMAPT
SCHEMBL11776204 0.86 ESR1 (0.65) ESR1LMNAESR2KMT2AMAPT
SCHEMBL2957385 0.85 STS (0.62) ESR1LMNAESR2KMT2AMAPT

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
EP-1244458-B1 WEIGHT PROMOTING COMPOSITION, METHOD, AND PRODUCT PHERIN PHARM INC (US) 2007-10-03 EP claimed
US-6555531-B1 Administering pregnanes such as 21-methyl-19-norpregna-1,3,5(10)-trien-3-ol; treating cachexia, eating disorders, AIDS, and giving to athletes PHERIN PHARMACEUTICALS, INC. 2003-04-29 US claimed
US-3946052-A 19-Norpregna- 1,3,5(10)-trien-3-ol and loweralkyl homologs thereof having postcoital antifertility activity STANFORD RESEARCH INSTITUTE (US) 1976-03-23 US claimed
EP-1244458-B1 WEIGHT PROMOTING COMPOSITION, METHOD, AND PRODUCT PHERIN PHARM INC (US) 2007-10-03 EP disclosed
EP-1405860-B1 Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use STANFORD RES INST INT (US) 2007-02-14 EP disclosed
EP-1405860-A1 Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use SRI INTERNATIONAL (US) 2004-04-07 EP disclosed
US-6555531-B1 Administering pregnanes such as 21-methyl-19-norpregna-1,3,5(10)-trien-3-ol; treating cachexia, eating disorders, AIDS, and giving to athletes PHERIN PHARMACEUTICALS, INC. 2003-04-29 US disclosed
EP-1042354-A2 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 2000-10-11 EP disclosed
US-6046186-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS SRI INTERNATIONAL (US) 2000-04-04 US disclosed
WO-1999033858-A9 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1999-10-28 WO disclosed
WO-1999033858-A2 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1999-07-08 WO disclosed
US-3946052-A 19-Norpregna- 1,3,5(10)-trien-3-ol and loweralkyl homologs thereof having postcoital antifertility activity STANFORD RESEARCH INSTITUTE (US) 1976-03-23 US disclosed