SCHEMBL6973755

SCHEMBL6973755

[CH2]CCCC(=O)OCCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
DNM1 Q05193 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
CYP19A1 P11511 1/20 0.35
BLM P54132 1/20 0.34
HTR2C P28335 1/20 0.34
PTPN1 P18031 1/20 0.34
NAAA Q02083 1/20 0.33
RARB P10826 1/20 0.33
CA1 P00915 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6970184 0.91 DGKA (0.38) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL6789778 0.91 CYP19A1 (0.42) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL491459 0.88 DGKA (0.47) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL322130 0.88 DGKA (0.52) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL4285860 0.88 DGKA (0.47) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL16861153 0.86 DGKA (0.55) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL494925 0.86 DGKA (0.55) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL495029 0.86 DGKA (0.55) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL19899172 0.86 DGKA (0.55) DGKAPRSS1PRSS2PRSS3TDP1
SCHEMBL495327 0.86 DGKA (0.55) DGKAPRSS1PRSS2PRSS3TDP1

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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed