SCHEMBL9724498

SCHEMBL9724498

CC(CCCC(=O)OCc1ccccc1)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
SLC15A1 P46059 1/20 0.43
CDC25B P30305 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL22403920 0.88 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL24201221 0.88 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL4955877 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL25984102 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL18334358 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL18858339 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL18334359 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL22273544 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL28377873 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1LMNAKMT2A
SCHEMBL21921367 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4154740-A None JP disclosed
JP-H04154740-A HALOGENATED OLEFIN, INSECTICIDE AND ACARICIDE CONTAINING THE SAME, AND CONTROL OF INSECT AND ACARID SCHERING AG 1992-05-27 JP disclosed