SCHEMBL23399663

SCHEMBL23399663

Cc1c(O)cnn1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL12960396 0.76 CYP1A2 (0.37) CYP17A1CYP1A2
SCHEMBL23399104 0.76 KDM4E (0.31) CYP1A2
SCHEMBL9237010 0.75 SMN1; SMN2 (0.38) CYP1A2
SCHEMBL21720353 0.73 PLA2G1B (0.33) CYP17A1CYP1A2
SCHEMBL21718839 0.73 CYP17A1 (0.32) CYP17A1CYP1A2
SCHEMBL21720342 0.73 SMN1; SMN2 (0.35) CYP17A1CYP1A2
SCHEMBL21719911 0.73 CYP17A1 (0.32) CYP17A1CYP1A2
SCHEMBL23401263 0.73 CYP1A2 (0.35) CYP17A1CYP1A2
SCHEMBL23403498 0.72 SMN1; SMN2 (0.31)
SCHEMBL23400112 0.72 NR4A3 (0.30)

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed