SCHEMBL28580199

SCHEMBL28580199

COCCCOc1cc2c(cc1I)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.71
TENT4A Q5XG87 1/20 0.71
TENT4B Q8NDF8 1/20 0.71

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
SCHEMBL21043364 0.93 CYP2B6 (0.73) CYP2B6TENT4ATENT4B
SCHEMBL19924549 0.91 CYP2B6 (0.73) CYP2B6TENT4ATENT4B
SCHEMBL16942404 0.91 CYP2B6 (0.73) CYP2B6TENT4ATENT4B
SCHEMBL21043355 0.91 CYP2B6 (0.71) CYP2B6TENT4ATENT4B
SCHEMBL16929853 0.91 CYP2B6 (0.73) CYP2B6TENT4ATENT4B
SCHEMBL29840586 0.91 CYP2B6 (0.73) CYP2B6TENT4ATENT4B
SCHEMBL16942409 0.91 CYP2B6 (0.73) CYP2B6TENT4ATENT4B
SCHEMBL21043372 0.90 CYP2B6 (0.58) CYP2B6TENT4ATENT4B
SCHEMBL21043161 0.90 CYP2B6 (0.70) CYP2B6TENT4ATENT4B
SCHEMBL16930045 0.90 CYP2B6 (0.70) CYP2B6TENT4ATENT4B

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
CN-110066278-B Fused tricyclic compound and application thereof in medicines 广东东阳光药业有限公司 2021-06-08 CN disclosed