SCHEMBL8630199

SCHEMBL8630199

CCOC(=O)C(=N)c1ccc(OC(=O)c2cccc(COc3ccc(C(C)(C)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
NR4A2 P43354 1/20 0.43
RAB9A P51151 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 3/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
F10 P00742 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8631532 0.83 MAOB (0.58) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL8630197 0.83 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL8631530 0.80 MRGPRX4 (0.49) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL2518984 0.75 MAPT (0.67) SMN1; SMN2PKMALDH1A1MAPTTDP1
SCHEMBL8378355 0.73 MAOB (0.47) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL8378353 0.73 MAOB (0.47) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL8631529 0.73 NPC1 (0.46) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL22178626 0.72 MRGPRX4 (0.45) MRGPRX4SMN1; SMN2TP53PKMNFKB1
Amelubant SCHEMBL29359085 0.71 GRM5 (0.45) MRGPRX4SMN1; SMN2TP53PKMNFKB1
Amelubant SCHEMBL1891670 0.71 GRM5 (0.45) MRGPRX4SMN1; SMN2TP53PKMNFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731332-A LEUKOTRIENE ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS BOEHRINGER INGELHEIM KG (DE) 1998-03-24 US claimed
US-5731332-A LEUKOTRIENE ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS BOEHRINGER INGELHEIM KG (DE) 1998-03-24 US disclosed