SCHEMBL14960464

SCHEMBL14960464

O=C(Nc1ccccc1C(=O)O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.47
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
MASP2 O00187 1/20 0.43
DHODH Q02127 1/20 0.43
CFD P00746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL11709551 0.82 MAPT (0.53) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL4403976 0.81 ITGB1 (0.55) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL1205198 0.80 SMN1; SMN2 (0.51) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL4401959 0.78 ALDH1A1 (0.54) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL18052443 0.78 NPC1 (0.53) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL5303474 0.76 ALDH1A1 (0.48) KDM4EALDH1A1GAAKMT2APOLB
SCHEMBL5382777 0.76 KMT2A (0.52) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL9890035 0.76 RXFP1 (0.46) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL25063097 0.75 CYP2C19 (0.49) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL4399516 0.75 HDAC1 (0.47) KDM4EMAPTALDH1A1GAANPC1

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
EP-2252584-B1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME INC (US) 2016-12-07 EP disclosed
US-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed