SCHEMBL1024207

SCHEMBL1024207

NC[C@@H](CO)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 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
SCHEMBL18341183 1.00 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL18341181 1.00 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL4856193 0.98 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL20974172 0.98 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL20974171 0.98 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL2268145 0.86 MEN1 (0.47) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL9012916 0.84 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL1642165 0.83 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL17101835 0.81 ALDH1A1 (0.43) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL18783553 0.81 MEN1 (0.43) KMT2AMEN1LMNAALDH1A1POLB

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed