SCHEMBL7686423

SCHEMBL7686423

C[CH]CCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NOTUM Q6P988 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CDC25B P30305 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
GLA P06280 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
SCHEMBL27281585 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL26226333 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL2587934 0.84 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL1177836 0.83 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL2465566 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL7651972 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL13248936 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL958928 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL21958792 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL3510782 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNATDP1

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-6337305-B1 HERBICIDES FOR AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-0968188-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1998042671-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed