SCHEMBL28280362

SCHEMBL28280362

N#CC(C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
CNR2 P34972 2/20 0.41
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
SLC9A1 P19634 1/20 0.36
NFKB1 P19838 1/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALOX5 P09917 1/20 0.35
EPHX2 P34913 1/20 0.35
KCNN4 O15554 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 2/20 0.34
FAP Q12884 2/20 0.34

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
SCHEMBL29226192 0.80 CNR2 (0.42) ACP3CNR2GAALMNACACNA1C
SCHEMBL29226191 0.78 KMT2A (0.52) ACP3CNR2GAALMNAEPHX2
SCHEMBL1061610 0.78 ACP3 (0.47) ACP3CNR2GAALMNASLC9A1
SCHEMBL8912757 0.76 ACP3 (0.46) ACP3CNR2GAALMNASLC9A1
SCHEMBL7979002 0.76 ACP3 (0.46) ACP3CNR2GAALMNASLC9A1
SCHEMBL7472384 0.76 ACP3 (0.46) ACP3CNR2GAALMNASLC9A1
SCHEMBL12651209 0.76 CYP2C19 (0.36) GAALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL6799998 0.75 CXCL8 (0.41) ACP3ALDH1A1
SCHEMBL4778256 0.75 ACP3 (0.45) ACP3CNR2GAALMNAALDH1A1
SCHEMBL4590418 0.75 ACP3 (0.45) ACP3CNR2GAALMNASLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646120-B A kind of preparation method of carboxylic acid 浙江省诸暨合力化学对外贸易有限公司 2019-03-19 CN disclosed