SCHEMBL9040552

SCHEMBL9040552

[CH]CCC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
TDP1 Q9NUW8 3/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 3/20 0.51
HCAR2 Q8TDS4 1/20 0.49
NOTUM Q6P988 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
CDC25B P30305 1/20 0.47
HTT P42858 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
SCHEMBL442441 0.89 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL1177836 0.88 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL18673 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL446811 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL3963428 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL958928 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL2926392 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL20624816 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL4941879 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL1856208 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 EP disclosed
US-5340801-A Compounds having cholecystokinin and gastrin antagonistic properties RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-08-23 US disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 WO disclosed