SCHEMBL29742912

SCHEMBL29742912

COc1cccc(-c2cc(C(=O)O)oc2C)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.61
GPR35 Q9HC97 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
SLC9A1 P19634 1/20 0.49
GAPDH P04406 1/20 0.47
PIN1 Q13526 1/20 0.47
MAOB P27338 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
MIF P14174 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL28626430 0.85 PTGER4 (0.54) PTGER4GAPDHMAPT
SCHEMBL29742939 0.85 PTGER4 (0.54) PTGER4GAPDHMAPT
SCHEMBL29742884 0.84 PIM1 (0.53) PTGER4
SCHEMBL28626376 0.84 PIM1 (0.53) PTGER4
SCHEMBL3741650 0.78 SLC9A1 (0.67) PTGER4GPR35ALDH1A1HPGDSLC9A1
SCHEMBL3543639 0.76 PTGER4 (1.00) PTGER4
SCHEMBL28636888 0.76 ALDH1A1 (0.48) PTGER4ALDH1A1SLC9A1PIN1MAOB
SCHEMBL29742819 0.76 PTGER4 (0.48) PTGER4ALDH1A1PIN1
SCHEMBL29742860 0.76 ALDH1A1 (0.48) PTGER4ALDH1A1SLC9A1PIN1MAOB
SCHEMBL381400 0.74 ALDH1A1 (0.64) PTGER4GPR35ALDH1A1HPGDSLC9A1

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
CN-113444081-B Thiadiazole carboxamide compounds and application thereof 浙江大学 2022-07-05 CN disclosed