SCHEMBL5265990

SCHEMBL5265990

COc1cc2c(cc1NS(=O)(=O)O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.70
HSD17B10 Q99714 3/20 0.70
LMNA P02545 3/20 0.70
CYP19A1 P11511 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP1A1 P04798 2/20 0.70
CYP1B1 Q16678 2/20 0.70
MEN1 O00255 2/20 0.70
GAA P10253 2/20 0.70
MAPT P10636 2/20 0.70
KMT2A Q03164 2/20 0.70
TP53 P04637 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
THPO P40225 1/20 0.70
GMNN O75496 1/20 0.70
SHBG P04278 1/20 0.70
MTOR P42345 1/20 0.70

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
SCHEMBL5265994 1.00 STS (0.70) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL6639224 1.00 STS (0.70) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL5265236 1.00 STS (0.70) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL5265240 1.00 STS (0.70) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL6639220 1.00 STS (0.70) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL5264147 0.91 STS (0.60) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL5264144 0.91 STS (0.60) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL5265316 0.91 STS (0.60) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL5265314 0.91 STS (0.60) STSHSD17B10LMNACYP19A1CYP1A2
SCHEMBL3379141 0.90 CA2 (0.63) STSHSD17B10LMNACYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418921-B1 ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES STERIX LTD (GB) 2007-10-03 EP claimed
EP-1418921-B1 ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES STERIX LTD (GB) 2007-10-03 EP disclosed