SCHEMBL7369714

SCHEMBL7369714

N#Cc1ccc(OCc2ccccc2)c(C[C@H](N)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
MEN1 O00255 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PLA2G2A P14555 1/20 0.51
KMT2A Q03164 1/20 0.51
MRGPRX4 Q96LA9 4/20 0.48
MAOB P27338 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
PTGER1 P34995 1/20 0.45
GPR34 Q9UPC5 1/20 0.44
SLC1A5 Q15758 5/20 0.43
PPIA P62937 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL5157377 0.81 LTA4H (0.54) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL5157382 0.81 LTA4H (0.54) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL5089130 0.81 MRGPRX4 (0.53) MRGPRX4MAOBPTGER1PPIAPTGDR2
Hydrochloric Acid SCHEMBL4847778 0.81 LTA4H (0.53) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
Hydrochloric Acid SCHEMBL1023741 0.81 LTA4H (0.53) LTA4HMEN1HSP90AA1HSP90AB1PLA2G2A
SCHEMBL6490916 0.81 MRGPRX4 (0.50) MRGPRX4MAOBPTGER1GPR34PPIA
Hydrochloric Acid SCHEMBL5098921 0.80 MRGPRX4 (0.52) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL6554874 0.79 MAOB (0.55) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL1978691 0.79 MAOB (0.55) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL6212565 0.79 MAOB (0.55) MRGPRX4MAOBPTGER1PPIA

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
EP-1206446-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 2002-05-22 EP disclosed
WO-2001010823-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-15 WO disclosed