SCHEMBL13876902

SCHEMBL13876902

Cc1cn(CC(=O)N(CCNC(=O)C(C)(C)C)CC(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.40
TK2 O00142 7/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL14528806 0.88 TK1 (0.40) TK1TK2HPGD
SCHEMBL5158820 0.88 TK1 (0.37) TK1TK2HPGD
SCHEMBL13890775 0.86 KMT2A (0.39) TK1TK2HPGD
SCHEMBL18788917 0.85 HPGD (0.40) TK1TK2HPGD
SCHEMBL7529489 0.82 HPGD (0.43) TK1HPGD
SCHEMBL13660676 0.82 ALDH1A1 (0.46) KDM4EALDH1A1
SCHEMBL5097379 0.81 HPGD (0.42) TK1HPGD
SCHEMBL8642052 0.80 TK1 (0.39) TK1TK2
SCHEMBL5360321 0.78 TK1 (0.38) TK1TK2HPGD
SCHEMBL5175003 0.78 KMT2A (0.40) TK1TK2

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-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 US disclosed