SCHEMBL13150802

SCHEMBL13150802

COC(=O)C(N)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.62
MAOB P27338 1/20 0.58
PARP10 Q53GL7 1/20 0.58
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
SRD5A2 P31213 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EGFR P00533 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
PLA2G4B P0C869 1/20 0.51
LAP3 P28838 1/20 0.51
ADRB2 P07550 1/20 0.51

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
SCHEMBL28423110 0.83 MAOB (0.61) LTA4HMAOBPARP10NR4A1NR4A2
Hydrochloric Acid SCHEMBL9641061 0.82 MAOB (0.63) LTA4HMAOBPARP10NR4A1NR4A2
SCHEMBL28497919 0.81 PARP10 (0.53) LTA4HPARP10SRD5A2NPC1RAB9A
SCHEMBL5936619 0.81 KMT2A (0.51) ALDH1A1MAPTL3MBTL1
SCHEMBL14401989 0.81 KMT2A (0.51) ALDH1A1MAPTL3MBTL1
SCHEMBL3619364 0.81 LTA4H (0.64) LTA4HMAOBPARP10NR4A1NR4A2
SCHEMBL30285989 0.80 PARP10 (0.65) LTA4HMAOBPARP10NR4A1NR4A2
SCHEMBL6816962 0.80 MAOB (0.69) LTA4HMAOBPARP10NR4A1NR4A2
SCHEMBL7921142 0.80 LTA4H (0.74) LTA4HMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL6162332 0.80 LTA4H (0.74) LTA4HMAOBNPC1RAB9ASMN1; SMN2

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-7799941-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-21 US disclosed