SCHEMBL28073168

SCHEMBL28073168

CC=CC(=O)OCc1cccc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.52
HCAR2 Q8TDS4 4/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
FOLH1 Q04609 1/20 0.49
EGFR P00533 1/20 0.48
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48

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
Benzoic Acid SCHEMBL28244406 0.89 HCAR2 (0.49) MRGPRX4HCAR2RAB9AEGFRJAK3
SCHEMBL21049236 0.84 SMN1; SMN2 (0.56) MRGPRX4HCAR2SMN1; SMN2RAB9AEGFR
SCHEMBL1070423 0.82 HCAR2 (0.71) HCAR2EGFRJAK3BTK
SCHEMBL1070426 0.82 HCAR2 (0.71) HCAR2EGFRJAK3BTK
SCHEMBL28592782 0.82 HCAR2 (0.51) HCAR2EGFRJAK3BTK
SCHEMBL28073079 0.81 HCAR2 (0.51) HCAR2SMN1; SMN2RAB9AEGFRBTK
SCHEMBL11739714 0.81 HCAR2 (0.74) HCAR2EGFRJAK3BTK
SCHEMBL11739701 0.81 HCAR2 (0.74) HCAR2EGFRJAK3BTK
SCHEMBL6903869 0.80 ALDH1A1 (0.65) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL28167053 0.79 MMP1 (0.53) MRGPRX4HCAR2RAB9A

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
CN-105705580-A (meth) acrylic copolymer, resin composition, and molded article thereof 三菱瓦斯化学株式会社 2016-06-22 CN disclosed