SCHEMBL23788552

SCHEMBL23788552

COc1cc2c(cc1OC)C1=C(/C=C(/C(=O)O)C(=O)CCC1C1CC1)C(CO)O2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.31
MEN1 O00255 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL23788455 0.93 PPARG (0.31) PPARGMEN1CES2CES1KMT2A
SCHEMBL23788556 0.90 PPARG (0.31) PPARGMEN1CES2CES1KMT2A
SCHEMBL23788534 0.85
SCHEMBL23788608 0.82 MEN1 (0.35) MEN1KMT2A
SCHEMBL23788602 0.82 KDR (0.30)
SCHEMBL23788465 0.80 KDM4E (0.33) KMT2A
SCHEMBL23788637 0.79 IRAK4 (0.31)
SCHEMBL23788322 0.78 GPR84 (0.35)
SCHEMBL23788645 0.76
SCHEMBL23788553 0.74

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