SCHEMBL10678970

SCHEMBL10678970

CN(CC1CCCCCCC1)C(=O)CCCSc1nnnn1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.63
▸ GAA P10253 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ POLB P06746 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44

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
SCHEMBL10673448 0.87 ALDH1A1 (0.52) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10677456 0.86 ALDH1A1 (0.81) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10675699 0.83 ALDH1A1 (0.66) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10678330 0.82 ALDH1A1 (0.64) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10676823 0.82 ALDH1A1 (0.62) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10678043 0.81 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10968674 0.81 HSD11B1 (0.64) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10670062 0.80 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10677249 0.79 ALDH1A1 (0.60) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL10674374 0.79 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1POLBTSHR

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-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 — — US disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 — — US disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 — — US disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 — — EP disclosed
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