SCHEMBL10677889

SCHEMBL10677889

COC(=O)CCCSc1nnnn1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
POLB P06746 1/20 0.50
CASP1 P29466 1/20 0.50
ALDH1A1 P00352 9/20 0.49
NPC1 O15118 4/20 0.49
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.45
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL10682615 0.82 GAA (0.58) GAAPOLBALDH1A1NPC1MEN1
SCHEMBL10677159 0.74 ALDH1A1 (0.64) GAAPOLBALDH1A1NPC1CYP1A2
SCHEMBL10682396 0.74 L3MBTL1 (0.58) GAAALDH1A1NPC1CYP1A2CYP2D6
SCHEMBL10678975 0.74 SMN1; SMN2 (0.57) GAAPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL10682016 0.73 ALDH1A1 (0.47) GAAALDH1A1NPC1CYP1A2CYP2D6
SCHEMBL10677814 0.72 ALDH1A1 (0.44) GAAALDH1A1NPC1CYP1A2CYP2D6
SCHEMBL10675224 0.72 KMT2A (0.58) GAAPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL10677219 0.72 ALDH1A1 (0.55) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL10672856 0.70 TSHR (0.60) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL10674943 0.70 ALDH1A1 (0.42) GAAALDH1A1NPC1CYP1A2CYP2D6

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