SCHEMBL5164441

SCHEMBL5164441

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 15/20 0.74
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67
ESR1 P03372 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
ESR2 Q92731 1/20 0.64
ABCC4 O15439 2/20 0.61
ABCC1 P33527 1/20 0.61
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL6369320 0.90 STS (0.76) STSCA1CA2CA9ESR1
SCHEMBL345571 0.90 STS (0.76) STSCA1CA2CA9ESR1
SCHEMBL5167881 0.89 STS (0.75) STSCA1CA2CA9ESR1
SCHEMBL5167924 0.89 STS (0.70) STSCA1CA2CA9ESR1
SCHEMBL5164440 0.88 STS (0.77) STSCA1CA2CA9ESR1
E2Mate SCHEMBL628174 0.85 STS (1.00) STSCA1CA2CA9ESR1
E2Mate SCHEMBL5980613 0.85 STS (1.00) STSCA1CA2CA9ESR1
E2Mate SCHEMBL10070158 0.85 STS (1.00) STSCA1CA2CA9ESR1
E2Mate SCHEMBL5165269 0.85 STS (1.00) STSCA1CA2CA9ESR1
E2Mate SCHEMBL5151234 0.85 STS (1.00) STSCA1CA2CA9ESR1

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 3 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
EP-1772462-A2 Steroid sulfamates, method for the production and use thereof Sterix Limited (GB) 2007-04-11 EP disclosed
US-6339079-B1 FOR THERAPY AND DIAGNOSIS OF ESTROGEN-DEPENDENT TUMORS ID PHARMA GMBH (DE) 2002-01-15 US disclosed