SCHEMBL6825580

SCHEMBL6825580

CC(C)CCN(CC(=O)NO)C(=O)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
ANPEP P15144 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.37
SLC6A9 P48067 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL6825190 0.92 TAS1R3 (0.43) ALDH1A1NPSR1POLBANPEPHPGD
SCHEMBL6826028 0.89 KMT2A (0.53) ALDH1A1NPSR1MEN1KMT2AGAA
SCHEMBL6822426 0.89 MEN1 (0.40) ALDH1A1NPSR1TRPV1MEN1KMT2A
SCHEMBL6825157 0.88 ANPEP (0.52) ALDH1A1NPSR1POLBANPEP
SCHEMBL6822349 0.85 ALDH1A1 (0.40) ALDH1A1NPSR1TRPV1MEN1KMT2A
SCHEMBL6825361 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1TRPV1MEN1KMT2A
SCHEMBL6822382 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1TRPV1MEN1KMT2A
SCHEMBL7066016 0.82 MAPT (0.39) ALDH1A1MEN1KMT2APOLBHSD17B10
SCHEMBL6822345 0.81 TAS1R3 (0.41) ALDH1A1MEN1KMT2APOLBANPEP
SCHEMBL6825434 0.81 LMNA (0.42) ALDH1A1NPSR1MEN1KMT2APOLB

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
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed