SCHEMBL23980763

SCHEMBL23980763

CNc1nc(C(=O)OC)ccc1NC(=O)Cc1ccc(-c2cccc3c2OCC(c2ccc(Cl)cc2F)O3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TPH1 P17752 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL23980757 0.90 TP53 (0.34) TP53LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL31707542 0.90 TP53 (0.34) TP53LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL23980854 0.81 LTB4R (0.39) LTB4RLTB4R2CYP11B1CYP11B2MAPT
SCHEMBL30217500 0.77 LTB4R (0.40) LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL30275375 0.77 PTGDR2 (0.40) LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL23980921 0.77 LTB4R (0.40) LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL23980920 0.77 PTGDR2 (0.40) LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL23980810 0.73 GLP1R (0.43) LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL28949266 0.70 ADRA2A (0.52) LTB4RLTB4R2CYP11B1CYP11B2
SCHEMBL30217488 0.70 ADRA2A (0.52) LTB4RLTB4R2CYP11B1CYP11B2

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
WO-2021219019-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-11-04 WO disclosed