SCHEMBL9515938

SCHEMBL9515938

CC(C)c1csc(C=Cc2cccc(OCCC(C)(C)C(=O)O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.49
PPARA Q07869 9/20 0.48
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYSLTR2 Q9NS75 4/20 0.39
CYSLTR1 Q9Y271 4/20 0.39
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9515927 1.00 ALB (0.49) ALBPPARAKDM4EALDH1A1SMN1; SMN2
SCHEMBL9514304 0.89 ALB (0.44) ALBPPARAKDM4EALDH1A1SMN1; SMN2
SCHEMBL9514296 0.89 ALB (0.44) ALBPPARAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5779807 0.74 ALB (0.61) ALB
SCHEMBL5775275 0.74 ALB (0.52) ALBCYSLTR2CYSLTR1MEN1ADORA3
SCHEMBL11091440 0.72 PPARA (0.60) PPARAKDM4ESMN1; SMN2KMT2A
SCHEMBL5774563 0.72 ALB (0.69) ALBKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL8304428 0.72 ALB (0.52) ALBKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8304425 0.72 ALB (0.52) ALBKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL5775071 0.71 ALB (0.60) ALBKDM4EALDH1A1SMN1; SMN2MEN1

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-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed