SCHEMBL9038003

SCHEMBL9038003

CCOC(=O)c1c(C)sc(C(=O)O)c1NC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
HPGD P15428 7/20 0.52
HSD17B10 Q99714 2/20 0.52
FHIT P49789 1/20 0.45
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9031767 0.89 CYP1A2 (0.45) ALDH1A1HPGDHSD17B10FHITRAB9A
SCHEMBL27347055 0.84 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10FHITRAB9A
SCHEMBL9259408 0.81 FHIT (0.46) ALDH1A1HPGDHSD17B10FHITRAB9A
SCHEMBL14637700 0.74 FHIT (0.51) ALDH1A1HPGDHSD17B10FHITRAB9A
SCHEMBL9031215 0.74 FHIT (0.60) ALDH1A1HPGDHSD17B10FHITRAB9A
SCHEMBL28682112 0.70 GAA (0.44) ALDH1A1HPGDTSHRMAPK1MAPT
SCHEMBL28692382 0.70 GAA (0.44) ALDH1A1HPGDTSHRMAPK1MAPT
SCHEMBL14708470 0.70 FHIT (0.74) ALDH1A1HPGDHSD17B10FHITRAB9A
SCHEMBL14948701 0.70 MAPT (0.69) ALDH1A1HPGDHSD17B10FHITRAB9A
SCHEMBL22692954 0.68 CYP1A2 (0.54) ALDH1A1HPGDHSD17B10RAB9ARXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483683-B1 Thienoimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-02-28 EP disclosed
US-5463073-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-31 US disclosed
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed