SCHEMBL23788296

SCHEMBL23788296

CCc1cc(C(C)=O)c(O)cc1OCCCOC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.60
LTB4R2 Q9NPC1 10/20 0.60
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HTR2B P41595 1/20 0.53
KMT2A Q03164 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HTT P42858 1/20 0.50
PDE5A O76074 4/20 0.48

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
SCHEMBL6802277 0.87 LTB4R (0.58) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL9417803 0.85 LTB4R (0.57) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL9417903 0.84 LTB4R (0.55) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL27200085 0.84 HTT (0.70) LTB4RLTB4R2ALDH1A1CYP3A4HPGD
SCHEMBL23788297 0.84 HTT (0.51) LTB4RLTB4R2TSHRKMT2AHTT
SCHEMBL9417807 0.83 LTB4R (0.56) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL9417912 0.83 LTB4R (0.58) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL23778068 0.82 HTT (0.50) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL23788577 0.82 HTT (0.50) LTB4RLTB4R2MEN1ALDH1A1CYP3A4
SCHEMBL22714672 0.82 HTT (0.50) LTB4RLTB4R2THRBHTT

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