SCHEMBL14451641

SCHEMBL14451641

CC(C)OC(=O)C(C)(C)Sc1nc(CC(=O)O)cs1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PPARA Q07869 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
SCHEMBL12273172 0.87 HSD17B10 (0.43) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL2414685 0.85 HSD17B10 (0.43) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL2415348 0.83 HSD17B10 (0.49) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL12277127 0.72 POLB (0.32) ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL9332045 0.72 HSD17B10 (0.56) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL14156102 0.72 GABRA5 (0.49) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL12274759 0.71 MEN1 (0.52) ALDH1A1GAAMAPTLMNAPOLB
SCHEMBL14451707 0.71 PTPN11 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10361187 0.71 HSD17B10 (0.59) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL2409692 0.71 PPARA (0.32) ALDH1A1NPC1RAB9ASMN1; SMN2PPARA

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-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 — — EP disclosed
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