SCHEMBL6900868

SCHEMBL6900868

CCN(C(=O)C(C(C)C)N(C(=O)O)C(C)C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 3/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.39
MLYCD O95822 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL18765958 0.77 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7497334 0.74 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL11618038 0.74 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL4055696 0.74 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL10951512 0.74 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL168183 0.74 ALDH1A1 (0.49) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL380050 0.73 ALDH1A1 (0.76) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL29216481 0.73 ALDH1A1 (0.69) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL28389819 0.73 ALDH1A1 (0.63) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL11897377 0.73 ALDH1A1 (0.63) ALDH1A1GLATSHRMEN1KMT2A

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
US-6753339-B1 Fungicide compositions AVENTIS CROPSCIENCE SA (FR) 2004-06-22 US disclosed