SCHEMBL28258446

SCHEMBL28258446

CCCCC(CCCNCC)C(=O)O.Clc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
EPHX1 P07099 4/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.41
CA2 P00918 1/20 0.41
FOLH1 Q04609 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL21896387 0.74 KDM4E (0.49) KMT2A
SCHEMBL21895816 0.74 PTGFR (0.43) KMT2AMAPK1CA2MEN1ALDH1A1
SCHEMBL21896388 0.74 KDM4E (0.49) KMT2A
Diethylamine SCHEMBL28327490 0.73 CA2 (0.63) MAPK1CA2MAPT
SCHEMBL28295290 0.73 TMEM97 (0.50) KMT2AMEN1ALDH1A1
SCHEMBL20562178 0.72 GRIK1 (0.54) EPHX1MAPK1CA2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11825996 0.70 GRIK1 (0.53) EPHX1MAPK1CA2ALDH1A1MAPT
SCHEMBL14632705 0.70 GRIK1 (0.56) EPHX1KMT2AMAPK1CA2MEN1
SCHEMBL14996258 0.70 ALDH1A1 (0.51) KMT2AMAPK1CA2MEN1ALDH1A1
SCHEMBL593706 0.69 CA2 (0.81) MAPK1CA2FOLH1MAPT

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-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 CN disclosed