SCHEMBL2852317

SCHEMBL2852317

CC[C@@]12CCC[C@H]1[C@@H]1CCc3cc(OS(N)(=O)=O)ccc3[C@H]1CC2

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STS P08842 20/20 0.73
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
ESR1 P03372 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
ESR2 Q92731 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
SCHEMBL3384069 0.84 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL3384071 0.84 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL2849377 0.83 STS (0.66) STSCA2CA9
SCHEMBL7177976 0.81 STS (0.74) STSCA1CA2CA9ESR1
SCHEMBL1258790 0.81 STS (0.65) STSCA2CA9
SCHEMBL2163618 0.80 SHBG (0.68) STSESR1ESR2
SCHEMBL5165430 0.79 STS (0.74) STSCA1CA2CA9ESR1
SCHEMBL2849680 0.79 STS (0.47) STSCA1CA2CA9ESR1
SCHEMBL5168699 0.78 STS (0.59) STSCA1CA2CA9ESR1
Emate SCHEMBL6370815 0.78 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594884-A1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-16 EP claimed
WO-2004074308-A1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO claimed
EP-1594884-B1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES STERIX LTD (GB) 2010-01-13 EP disclosed
EP-1594884-A1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-16 EP disclosed
EP-1594884-A1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-16 EP disclosed
WO-2004074308-A1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed
WO-2004074308-A1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed