SCHEMBL8999927

SCHEMBL8999927

C[C@]12CCCC=C1CC[C@@H]1C2=CC[C@]2(C)C(=C(Oc3ccccc3)C(=O)O)CC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.41
NR3C1 P04150 1/20 0.35

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
SCHEMBL8999970 0.85 CYP19A1 (0.41) CYP19A1NR3C1
SCHEMBL8999930 0.83 CYP19A1 (0.41) CYP19A1NR3C1
SCHEMBL8999974 0.74 CYP19A1 (0.47) CYP19A1NR3C1
SCHEMBL8999971 0.74 CYP19A1 (0.47) CYP19A1NR3C1
SCHEMBL8999950 0.74 CYP19A1 (0.70) CYP19A1
SCHEMBL8999942 0.73 CYP19A1 (0.59) CYP19A1NR3C1
SCHEMBL8999961 0.71 CYP19A1 (0.45) CYP19A1NR3C1
SCHEMBL9000009 0.71 CYP19A1 (0.49) CYP19A1
SCHEMBL9000008 0.71 CYP19A1 (0.49) CYP19A1
SCHEMBL8999985 0.69 CYP19A1 (0.45) 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