SCHEMBL6970184

SCHEMBL6970184

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
HTR2C P28335 1/20 0.35
PTPN1 P18031 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CA1 P00915 2/20 0.34
NAAA Q02083 1/20 0.34
RARB P10826 1/20 0.34
ACHE P22303 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
SCHEMBL5147762 0.93 NAAA (0.40) DGKATDP1MAPTHTR2CPRSS1
SCHEMBL6973755 0.91 DGKA (0.41) DGKATDP1ADRA2AADRA1ACYP19A1
SCHEMBL6789825 0.88 CYP19A1 (0.45) DGKATDP1ADRA2AADRA1ACYP19A1
SCHEMBL10654547 0.88 ADRA2A (0.46) DGKATDP1ADRA2AADRA1ACYP19A1
SCHEMBL491459 0.86 DGKA (0.47) DGKATDP1ADRA2AADRA1ACYP19A1
SCHEMBL7591037 0.86 CA1 (0.43) DGKATDP1ADRA2AADRA1ACYP19A1
SCHEMBL322130 0.86 DGKA (0.52) DGKATDP1ADRA2AADRA1ACYP19A1
SCHEMBL4285860 0.86 DGKA (0.47) DGKATDP1ADRA2AADRA1ACYP19A1
SCHEMBL6785356 0.84 TDP1 (0.40) DGKATDP1CYP19A1BLMPTPN1
SCHEMBL16861153 0.84 DGKA (0.55) DGKATDP1MAPTPRSS1PRSS2

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