SCHEMBL23788591

SCHEMBL23788591

CCCCc1cc2c(cc1OCCCOC)OC(C(C)C)C1=C2CCCCC(=O)/C(C(=O)O)=C\1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.31
CYP2B6 P20813 1/20 0.30
TENT4A Q5XG87 1/20 0.30
TENT4B Q8NDF8 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
SCHEMBL23788330 0.94 LTB4R (0.32) LTB4RCYP2B6TENT4ATENT4B
SCHEMBL23788629 0.88 LTB4R (0.32) LTB4R
SCHEMBL23788339 0.87 REN (0.33) CYP2B6TENT4ATENT4B
SCHEMBL23788424 0.82 CNR2 (0.32)
SCHEMBL23788643 0.81 IRAK4 (0.31)
SCHEMBL23788536 0.81 LTB4R (0.32) LTB4R
SCHEMBL23788601 0.80 LTB4R (0.30) LTB4R
SCHEMBL23788474 0.80 IRAK4 (0.32)
SCHEMBL23788471 0.79 KDM4E (0.31)
SCHEMBL23788559 0.78

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