SCHEMBL28073170

SCHEMBL28073170

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.54
TP53 P04637 2/20 0.54
PKM P14618 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
FOLH1 Q04609 1/20 0.50
NPC1 O15118 1/20 0.50

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
Isophthalic Acid SCHEMBL11134266 0.93 NR4A2 (0.54) MRGPRX4TP53PKMNFKB1NFKB2
Benzoic Acid SCHEMBL28244407 0.89 CA12 (0.46) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL28249198 0.88 ELANE (0.52) MRGPRX4SMN1; SMN2RAB9A
SCHEMBL10322053 0.87 ALDH1A1 (0.48) RAB9A
SCHEMBL12192413 0.86 POLB (0.49) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6903869 0.84 ALDH1A1 (0.65) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL17940788 0.84 SMN1; SMN2 (0.57) MRGPRX4SMN1; SMN2RAB9ANPC1
SCHEMBL1904651 0.83 ALDH1A1 (0.44) PKMNFKB1RAB9ANPC1
SCHEMBL11963923 0.82 POLB (0.53) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL13234404 0.82 ALDH1A1 (0.66) SMN1; SMN2RAB9ANPC1

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