SCHEMBL29840586

SCHEMBL29840586

COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.73
TENT4A Q5XG87 1/20 0.73
TENT4B Q8NDF8 1/20 0.73
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
HTR2B P41595 2/20 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
SCHEMBL16942404 1.00 CYP2B6 (0.73) CYP2B6TENT4ATENT4BHTR1AHTR2A
SCHEMBL16942409 1.00 CYP2B6 (0.73) CYP2B6TENT4ATENT4BHTR1AHTR2A
SCHEMBL16929853 1.00 CYP2B6 (0.73) CYP2B6TENT4ATENT4BHTR1AHTR2A
SCHEMBL19924549 1.00 CYP2B6 (0.73) CYP2B6TENT4ATENT4BHTR1AHTR2A
SCHEMBL16930014 0.98 CYP2B6 (0.71) CYP2B6TENT4ATENT4BHTR1AHTR2A
SCHEMBL16929883 0.95 CYP2B6 (0.67) CYP2B6TENT4ATENT4B
SCHEMBL16942415 0.95 CYP2B6 (0.67) CYP2B6TENT4ATENT4B
SCHEMBL16942414 0.95 CYP2B6 (0.67) CYP2B6TENT4ATENT4B
SCHEMBL16929909 0.93 CYP2B6 (0.63) CYP2B6TENT4ATENT4B
SCHEMBL21043364 0.93 CYP2B6 (0.73) 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-109715624-B Novel therapeutic agents for the treatment of HBV infection 广州麓鹏制药有限公司 2022-08-16 CN disclosed