SCHEMBL6970181

SCHEMBL6970181

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 4/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
PTPN1 P18031 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BLM P54132 1/20 0.33
ACHE P22303 1/20 0.33
ESR1 P03372 1/20 0.32

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
SCHEMBL6969651 0.88 TDP1 (0.44) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6973751 0.85 ATM (0.46) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL11748614 0.82 ATM (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6903301 0.82 ATM (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6903305 0.82 ATM (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL4676943 0.80 ATM (0.42) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL131127 0.79 ATM (0.68) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6453889 0.78 ATM (0.55) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL650621 0.78 TSHR (0.63) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL128687 0.78 ATM (0.55) ATMTSHRHPGDHCAR2ALDH1A1

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