SCHEMBL11136366

SCHEMBL11136366

N[C@@H](CC(=O)O)C(=O)NC(=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.50
MMP3 P08254 1/20 0.50
PLK1 P53350 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DEGS1 O15121 1/20 0.43
PPARG P37231 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.42

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
SCHEMBL11116252 0.86 HDAC8 (0.48) HDAC8MMP3PLK1NR1H4SCN5A
SCHEMBL2323089 0.85 PLK1 (0.51) HDAC8MMP3PLK1SCN5ASCN2A
SCHEMBL4131145 0.81 KDM4E (0.47) ALDH1A1KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL7294000 0.80 HDAC8 (0.47) HDAC8MMP3PLK1SCN5ASCN2A
SCHEMBL8013551 0.77 ALDH1A1 (0.49) HDAC8ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27295439 0.77 KDM4E (0.57) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27295441 0.77 KDM4E (0.57) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL1605906 0.77 HDAC8 (0.74) HDAC8MMP3PLK1ALDH1A1KDM4E
SCHEMBL14861047 0.76 SCN5A (0.44) HDAC8MMP3PLK1SCN5ASCN2A
SCHEMBL8405220 0.76 LTA4H (0.49) HDAC8MMP3PLK1NR1H4SCN5A

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-4372941-A FOR PRESENCE OF HYDROLYTIC ENZYMES UNIVERSITY OF MIAMI 1983-02-08 US disclosed