SCHEMBL18310372

SCHEMBL18310372

CC(C)C[C@H](N)[C@@H](O)CC(=O)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
ANPEP P15144 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
LAP3 P28838 2/20 0.45
RNPEP Q9H4A4 1/20 0.45
DNPEP Q9ULA0 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL6045130 0.81 KMT2A (0.79) KMT2AALDH1A1HPGDANPEPPOLB
Hydrochloric Acid SCHEMBL10725331 0.81 TAS1R3 (0.47) KMT2AALDH1A1LMNAPKMTAAR1
Hydrochloric Acid SCHEMBL10725329 0.81 TAS1R3 (0.47) KMT2AALDH1A1LMNAPKMTAAR1
SCHEMBL2013100 0.80 KMT2A (0.57) KMT2AALDH1A1HPGDANPEPPOLB
SCHEMBL5907625 0.80 KMT2A (0.63) KMT2AALDH1A1HPGDPOLBLMNA
SCHEMBL10764126 0.79 HPGD (0.57) ALDH1A1HPGDLMNAPKMHDAC1
SCHEMBL4186748 0.79 KMT2A (0.56) KMT2AALDH1A1HPGDANPEPPOLB
SCHEMBL10148117 0.79 NPC1 (0.54) KMT2AALDH1A1ANPEPLMNATAAR1
SCHEMBL4184855 0.79 KMT2A (0.56) KMT2AALDH1A1HPGDANPEPPOLB
SCHEMBL18426210 0.78 KMT2A (0.58) KMT2AALDH1A1HPGDANPEPPOLB

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-2016197190-A1 STRUCTURE OF PLASMEPSIN V IN COMPLEX WITH AN INHIBITOR AND USES THEREOF THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2016-12-15 WO disclosed