SCHEMBL8999935

SCHEMBL8999935

Cc1ccc(S(=O)(=O)C(C(=O)O)C2=CC[C@H]3[C@@H]4CCC5=CCCC[C@]5(C)C4=CC[C@]23C)cc1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.36

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
SCHEMBL8999916 0.88 CYP19A1 (0.38) CYP19A1
SCHEMBL8999956 0.79 CYP19A1 (0.38) CYP19A1
SCHEMBL8999941 0.77 CYP19A1 (0.35) CYP19A1
SCHEMBL22037869 0.61 NR3C1 (0.58) CYP19A1
SCHEMBL8020260 0.60 CYP19A1 (0.40) CYP19A1
SCHEMBL10582213 0.60 NR3C1 (0.41) CYP19A1
SCHEMBL8999931 0.59 CYP19A1 (0.67) CYP19A1
SCHEMBL7821908 0.55 SRC (0.55)
SCHEMBL21541438 0.55 NR3C1 (0.46) CYP19A1
SCHEMBL28944685 0.54 NFKB1 (0.54) CYP19A1

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-0515264-B1 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1996-09-11 EP disclosed
EP-0515264-A2 New steroid derivatives of pregna-4,9(11),17(20)-trien-3-on, their preparation, their use in the preparation of derivatives of pregna-4,9(11),16-trien-3,20-dione and intermediates therefor ROUSSEL UCLAF (FR) 1992-11-25 EP disclosed