SCHEMBL23407909

SCHEMBL23407909

C[C@H]1CC[C@@H](OC=O)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.30

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
SCHEMBL135661 1.00 CYP19A1 (0.30) CYP19A1
SCHEMBL29211858 1.00 CYP19A1 (0.30) CYP19A1
SCHEMBL16511645 0.93
SCHEMBL4288754 0.91
SCHEMBL16767911 0.87 HPGD (0.33)
SCHEMBL899641 0.86 HPGD (0.33)
SCHEMBL98197 0.86
SCHEMBL23081736 0.86 HPGD (0.33)
SCHEMBL1767352 0.85
SCHEMBL10709604 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO disclosed