SCHEMBL10679587

SCHEMBL10679587

COc1ccccc1-n1nnnc1CSCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
KCNN4 O15554 2/20 0.44
HSD11B1 P28845 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10673787 0.81 HSD11B1 (0.50) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL10677376 0.80 HSD11B1 (0.54) ALDH1A1MEN1KMT2AMAPTHSD11B1
SCHEMBL4211634 0.75 KCNN4 (0.57) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL1493362 0.74 MAPK1 (0.78) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL10673990 0.73 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTHSD11B1
SCHEMBL10679590 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL10676949 0.73 LMNA (0.46) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL4207437 0.72 KCNN4 (0.55) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL10676601 0.71 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTHSD11B1
SCHEMBL10674410 0.71 TSHR (0.48) ALDH1A1MEN1KMT2AMAPK1MAPT

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 5 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
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP 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