SCHEMBL9404855

SCHEMBL9404855

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 15/20 0.75
SLC22A2 O15244 1/20 0.64
NR1I2 O75469 1/20 0.64
ABCB11 O95342 1/20 0.64
ESR1 P03372 1/20 0.64
NR3C1 P04150 1/20 0.64
SHBG P04278 1/20 0.64
PGR P06401 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR1A P08908 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
AR P10275 1/20 0.64
ADRB3 P13945 1/20 0.64
CYP2B6 P20813 1/20 0.64
TBXA2R P21731 1/20 0.64
UGT1A1 P22309 1/20 0.64
SLC6A2 P23975 1/20 0.64
PDE4A P27815 1/20 0.64
ADORA2A P29274 1/20 0.64
SLC6A4 P31645 1/20 0.64

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
SCHEMBL9404747 0.94 STS (0.78) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL486651 0.93 STS (0.79) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL147038 0.90 STS (0.78) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL31508217 0.87 STS (0.81) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL31508390 0.86 STS (0.80) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL4903623 0.86 STS (1.00) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL4903619 0.86 STS (1.00) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL13478102 0.85 STS (0.84) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL3051244 0.85 STS (0.84) STSSLC22A2NR1I2ABCB11ESR1
SCHEMBL27488647 0.85 STS (0.78) STSSLC22A2NR1I2ABCB11ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269696-B1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR ESTRADIOL AND OTHER ESTROGENIC STEROIDS UNIV RUTGERS (US) 1994-08-03 EP disclosed
EP-0269696-A4 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR ESTRADIOL AND OTHER ESTROGENIC STEROIDS. UNIV NEW JERSEY (US) 1990-02-06 EP disclosed
US-4883669-A Transdermal absorption dosage unit for estradiol and other estrogenic steroids and process for administration RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1989-11-28 US disclosed
EP-0269696-A1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR ESTRADIOL AND OTHER ESTROGENIC STEROIDS. UNIV NEW JERSEY (US) 1988-06-08 EP disclosed
WO-1987007138-A1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR ESTRADIOL AND OTHER ESTROGENIC STEROIDS AND PROCESS FOR ADMINISTRATION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1987-12-03 WO disclosed
US-3989828-A Mixed esters of estradiol and zeranol ARIES ROBERT 1976-11-02 US disclosed