SCHEMBL5164602

SCHEMBL5164602

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.69
CA2 P00918 3/20 0.69
CA9 Q16790 3/20 0.69
CA1 P00915 2/20 0.69
ESR1 P03372 5/20 0.59
ESR2 Q92731 4/20 0.59
LMNA P02545 4/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
HIF1A Q16665 2/20 0.59
NR3C1 P04150 2/20 0.59
SHBG P04278 2/20 0.59
PGR P06401 2/20 0.59
SERPINA6 P08185 2/20 0.59
AR P10275 2/20 0.59
SLC6A4 P31645 2/20 0.59
SNCA P37840 2/20 0.59
SLC6A3 Q01959 2/20 0.59
PTGS1 P23219 1/20 0.59
OR51E2 Q9H255 1/20 0.59

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
SCHEMBL6333268 0.90 STS (0.72) STSCA2CA9CA1ESR1
SCHEMBL5167924 0.90 STS (0.70) STSCA2CA9CA1ESR1
SCHEMBL345570 0.89 STS (0.71) STSCA2CA9CA1ESR1
SCHEMBL5167108 0.89 STS (0.69) STSCA2CA9CA1ESR1
SCHEMBL5165243 0.82 STS (1.00) STSCA2CA9CA1ESR1
SCHEMBL628173 0.82 STS (1.00) STSCA2CA9CA1ESR1
Fluoroestradiol SCHEMBL5009547 0.81 ESR1 (0.78) STSESR1ESR2LMNACYP2C9
Fluoroestradiol SCHEMBL6543568 0.81 ESR1 (0.78) STSESR1ESR2LMNACYP2C9
Fluoroestradiol SCHEMBL21856652 0.81 ESR1 (0.78) STSESR1ESR2LMNACYP2C9
Fluoroestradiol SCHEMBL6543617 0.81 ESR1 (0.78) STSESR1ESR2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1772462-A2 Steroid sulfamates, method for the production and use thereof Sterix Limited (GB) 2007-04-11 EP claimed
US-6339079-B1 FOR THERAPY AND DIAGNOSIS OF ESTROGEN-DEPENDENT TUMORS ID PHARMA GMBH (DE) 2002-01-15 US claimed
EP-1772462-A2 Steroid sulfamates, method for the production and use thereof Sterix Limited (GB) 2007-04-11 EP disclosed
EP-0970104-B1 STEROID SULFAMATES, METHOD FOR THE PRODUCTION AND USE THEREOF STERIX LTD (GB) 2006-11-22 EP disclosed
US-6339079-B1 FOR THERAPY AND DIAGNOSIS OF ESTROGEN-DEPENDENT TUMORS ID PHARMA GMBH (DE) 2002-01-15 US disclosed