SCHEMBL6973751

SCHEMBL6973751

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 4/20 0.41
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 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
SCHEMBL6974764 0.89 TDP1 (0.42) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL128687 0.86 ATM (0.55) ATMTSHRHPGDHCAR2MAPT
SCHEMBL6970181 0.85 ATM (0.44) ATMTSHRHPGDHCAR2MAPT
SCHEMBL130609 0.83 ATM (0.65) ATMTSHRHPGDHCAR2MAPT
SCHEMBL127970 0.81 HCAR2 (0.46) ATMTSHRHPGDHCAR2MAPT
SCHEMBL6970553 0.81 HCAR2 (0.58) ATMTSHRHPGDHCAR2MAPT
SCHEMBL8896113 0.79 HCAR2 (0.59) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL8895422 0.79 HCAR2 (0.59) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL6929525 0.79 HCAR2 (0.59) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL8896935 0.79 HCAR2 (0.59) ATMTSHRHPGDHCAR2NPSR1

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