SCHEMBL5872207

SCHEMBL5872207

C=CCC(=O)OC(=O)C(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL4631695 0.78 CA2 (0.40) TSHRCA1CA2ALDH1A1HPGD
SCHEMBL7057332 0.76 ALDH1A1 (0.46) TSHRCA1CA2ALDH1A1TDP1
SCHEMBL11662121 0.76 MGAM (0.46) TSHRCA1CA2ALDH1A1USP2
SCHEMBL462526 0.76 ALDH1A1 (0.40) TSHRALDH1A1TDP1HTTHPGD
SCHEMBL777517 0.76 TSHR (0.39) TSHRTDP1HTTHPGD
SCHEMBL5508483 0.75 GRIK1 (0.38) TSHRCA1CA2ALDH1A1TDP1
SCHEMBL247701 0.75 CA2 (0.44) TSHRCA1CA2ALDH1A1TDP1
SCHEMBL252925 0.75 HTT (0.35) TSHRALDH1A1HTT
SCHEMBL5508485 0.74 ALDH1A1 (0.47) TSHRCA1CA2ALDH1A1TDP1
SCHEMBL776285 0.73 TSHR (0.33) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060153771-A1 Preparations for measuring gastric emptying ability OTSUKA PHARMACEUTICAL CO., LTD 2006-07-13 US disclosed
US-7018613-B2 Safe and easy examination of reduction or acceleration of gastric emptying rate, useful for diagnosis of gastric motor function, and for evaluating pharmacological or therapeutic effects of drugs relating to gastric motor function OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-03-28 US disclosed
US-20030190283-A1 Preparations for evaluating eliminative ability of stomach OTSUKA PHARMACEUTICAL CO., LTD (JP) 2003-10-09 US disclosed
EP-1285668-A1 PREPARATIONS FOR EVALUATING ELIMINATIVE ABILITY OF STOMACH OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-02-26 EP disclosed