SCHEMBL31364552

SCHEMBL31364552

CC(=O)Oc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
CSNK2A1 P68400 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PTGS2 P35354 2/20 0.52
CA12 O43570 1/20 0.52
ALOX5 P09917 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 4/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
MCL1 Q07820 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDR P35968 2/20 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
SCHEMBL344841 1.00 KDM4E (0.64) KDM4ECSNK2A1CA1CA2PTGS2
SCHEMBL312949 0.87 MAOA (0.53) KDM4ECA12CA9ALDH1A1CYP3A4
SCHEMBL29182111 0.86 CSNK2A1 (0.50) KDM4ECSNK2A1CA1CA2PTGS2
SCHEMBL7121659 0.85 KDM4E (0.69) KDM4ECA1CA2CA12CA7
SCHEMBL4360840 0.85 KDM4E (0.73) KDM4EPTGS2ALDH1A1CYP3A4PKM
SCHEMBL7262143 0.83 KDM4E (0.66) KDM4EPTGS2ALDH1A1CYP3A4PKM
SCHEMBL6277588 0.83 ELANE (0.50) KDM4ECSNK2A1CA1CA2PTGS2
SCHEMBL8502531 0.82 CA12 (0.61) KDM4ECA1CA2PTGS2CA12
SCHEMBL11703537 0.81 CA1 (0.53) KDM4ECSNK2A1CA1CA2PTGS2
SCHEMBL1316975 0.81 ALDH1A1 (0.73) KDM4ECSNK2A1CA1CA2PTGS2

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-114573453-B Selective of Carboxylic ester cleavage process 荆楚理工学院 2024-12-03 CN claimed