SCHEMBL5604152

SCHEMBL5604152

CC(C)(C)ON(C=O)Cc1cccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 7/20 0.46
MEP1A Q16819 2/20 0.46
FOLH1 Q04609 1/20 0.45
MRGPRX4 Q96LA9 8/20 0.43
NR1H4 Q96RI1 1/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL5548483 0.87 LOXL2 (0.52) MEP1BFOLH1MRGPRX4SMN1; SMN2RAB9A
SCHEMBL27523354 0.87 FOLH1 (0.47) MEP1BFOLH1MRGPRX4NR1H4TP53
SCHEMBL11503179 0.84 CYP1A2 (0.45) NR1H4NFKB1
SCHEMBL5603701 0.83 ALDH1A1 (0.43) MEP1BNR1H4SMN1; SMN2RAB9A
SCHEMBL7662463 0.82 S1PR1 (0.39)
SCHEMBL7763429 0.81 MEN1 (0.41) RAB9A
SCHEMBL5663890 0.79 LOXL2 (0.38) MRGPRX4NFKB1SMN1; SMN2
SCHEMBL4518626 0.79 HSD11B1 (0.38) MRGPRX4TP53
SCHEMBL6500462 0.79 GPR35 (0.47) NR1H4SMN1; SMN2RAB9A
SCHEMBL3865771 0.78 ENPP2 (0.44)

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
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed