SCHEMBL30628893

SCHEMBL30628893

COCc1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.67
TP53 P04637 2/20 0.67
PKM P14618 2/20 0.67
NFKB1 P19838 2/20 0.67
NFKB2 Q00653 2/20 0.67
RELA Q04206 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
FOLH1 Q04609 1/20 0.59

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
SCHEMBL565902 1.00 MRGPRX4 (0.67) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL20795336 0.87 MRGPRX4 (0.51) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL27905651 0.86 MRGPRX4 (0.54) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22681476 0.86 ATM (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3149977 0.85 MAOB (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL28277763 0.85 MRGPRX4 (0.58) MRGPRX4TP53PKMNFKB1NFKB2
Benzoic Acid SCHEMBL29002939 0.85 NR4A2 (0.59) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6000790 0.85 MRGPRX4 (0.68) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL45113 0.84 MRGPRX4 (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL2824632 0.84 PARP1 (0.56) MRGPRX4TP53PKMNFKB1NFKB2

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-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN disclosed