SCHEMBL25284732

SCHEMBL25284732

CCOCCc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
FOLH1 Q04609 1/20 0.53
KMT2A Q03164 1/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PLA2G4B P0C869 1/20 0.47
NR4A2 P43354 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL16804658 0.88 MRGPRX4 (0.51) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL27653356 0.84 NR4A2 (0.58) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL12808726 0.83 FOLH1 (0.56) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3315985 0.83 MRGPRX4 (0.68) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL8862204 0.83 PLA2G2A (0.41) MRGPRX4TP53PKMNFKB1NFKB2
Ether SCHEMBL7811293 0.82 MRGPRX4 (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL30354557 0.81 FOLH1 (0.61) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL991080 0.81 FOLH1 (0.61) MRGPRX4TP53PKMNFKB1NFKB2
Isophthalic Acid SCHEMBL1557618 0.81 KMT2A (0.56) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL46927 0.81 FOLH1 (0.53) 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
WO-2023121411-A1 ECO-FRIENDLY METHOD FOR DECOLORIZATION AND DEPOLYMERIZATION OF COLORED POLYMER CONTAINING ESTER FUNCTIONAL GROUP 한국화학연구원 2023-06-29 WO claimed
WO-2023121411-A1 ECO-FRIENDLY METHOD FOR DECOLORIZATION AND DEPOLYMERIZATION OF COLORED POLYMER CONTAINING ESTER FUNCTIONAL GROUP 한국화학연구원 2023-06-29 WO disclosed