SCHEMBL23788339

SCHEMBL23788339

COCCCOc1cc2c(cc1Br)C1=C(/C=C(/C(=O)O)C(=O)CCCC1)C(C(C)C)O2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.33
HTR1A P08908 4/20 0.33
SLC6A4 P31645 4/20 0.33
CYP2B6 P20813 1/20 0.32
TENT4A Q5XG87 1/20 0.32
TENT4B Q8NDF8 1/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL23788330 0.90 LTB4R (0.32) HTR1ASLC6A4CYP2B6TENT4ATENT4B
SCHEMBL23788591 0.87 LTB4R (0.31) CYP2B6TENT4ATENT4B
SCHEMBL23788629 0.83 LTB4R (0.32)
SCHEMBL23788559 0.81
SCHEMBL23788424 0.80 CNR2 (0.32)
SCHEMBL23788471 0.80 KDM4E (0.31) KDM4E
SCHEMBL23788321 0.78 SRD5A1 (0.38)
SCHEMBL23788557 0.77
SCHEMBL23788643 0.77 IRAK4 (0.31)
SCHEMBL23788536 0.77 LTB4R (0.32)

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-3720857-B1 2-OXO-5H-CHROMENO[4,3-B]PYRIDINES FOR USE IN THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2021-09-08 EP disclosed