SCHEMBL22845659

SCHEMBL22845659

CC(=O)c1ccc(C(=O)OOC(=O)c2ccc(C(C)=O)o2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.42
GLA P06280 2/20 0.42
TSHR P16473 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL54682 0.85 KMT2A (0.46) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL3140257 0.84 MEN1 (0.61) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL24467151 0.83 HDAC4 (0.42) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL24467119 0.83 KMT2A (0.42) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL23544342 0.81 KMT2A (0.41) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL1828976 0.79 HDAC4 (0.65) KMT2AMEN1CYP1A2TSHRHDAC4
SCHEMBL25003537 0.79 ALDH1A1 (0.38) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL12140121 0.78 ALDH1A1 (0.54) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL17409146 0.77 KMT2A (0.41) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL12400282 0.77 HDAC4 (0.45) KMT2AMEN1CYP1A2CYP2C19HTT

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
US-20200407494-A1 Renewably Sourced Soil Release Polyesters CLARIANT INTERNATIONAL LTD. (CH) 2020-12-31 US disclosed