SCHEMBL27655015

SCHEMBL27655015

[O]Cc1cccc(OCc2cccc(C(=O)O)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.72
MRGPRX4 Q96LA9 14/20 0.72
TP53 P04637 2/20 0.65
PKM P14618 2/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RAB9A P51151 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65

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
SCHEMBL4406160 0.91 NR4A2 (0.87) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL27654975 0.90 NR4A2 (0.70) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL1122713 0.88 NR4A2 (0.94) NR4A2MRGPRX4SMN1; SMN2
SCHEMBL4138759 0.87 NR4A2 (0.81) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL10919187 0.85 CYP4F2 (0.70) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL27654979 0.85 NR4A2 (0.72) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL30207018 0.84 NR4A2 (1.00) NR4A2MRGPRX4SMN1; SMN2
SCHEMBL339009 0.84 NR4A2 (1.00) NR4A2MRGPRX4SMN1; SMN2
SCHEMBL27588719 0.84 BCHE (0.62) NR4A2SMN1; SMN2
SCHEMBL9538429 0.84 MRGPRX4 (1.00) NR4A2MRGPRX4TP53PKMNFKB1

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
CN-1861560-A Carboxylic acid derivant, its preparation process and pharmaceutical composition SHANGHAI PHARMACEUTICAL INST C (CN) 2006-11-15 CN claimed
CN-1861560-A Carboxylic acid derivant, its preparation process and pharmaceutical composition SHANGHAI PHARMACEUTICAL INST C (CN) 2006-11-15 CN disclosed