SCHEMBL10731214

SCHEMBL10731214

CC(CCC(=O)O)Sc1nnnn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.62
▸ POLB P06746 2/20 0.58
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MAPT P10636 1/20 0.54
▸ LMNA P02545 4/20 0.52
▸ HTT P42858 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TSHR P16473 3/20 0.51
▸ USP2 O75604 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL17997163 0.84 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2ATP53
SCHEMBL14288405 0.83 ALDH1A1 (0.56) ALDH1A1POLBMEN1KMT2ATP53
SCHEMBL8827913 0.80 ALDH1A1 (0.70) ALDH1A1POLBMEN1KMT2ATP53
SCHEMBL11749330 0.79 ALDH1A1 (0.77) ALDH1A1POLBMEN1KMT2ATP53
SCHEMBL10670216 0.78 RECQL (0.48) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL5962424 0.77 ALDH1A1 (0.66) ALDH1A1POLBMEN1KMT2ATP53
SCHEMBL8827915 0.77 POLB (0.74) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL10478322 0.76 ALDH1A1 (0.54) ALDH1A1POLBMEN1KMT2ATP53
SCHEMBL11742390 0.76 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2ATP53
SCHEMBL2373723 0.75 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2ATP53

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
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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