SCHEMBL20798155

SCHEMBL20798155

CCc1cccc(NCC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
GRK2 P25098 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
HDAC4 P56524 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
MEF2D Q14814 1/20 0.43
KMT2A Q03164 3/20 0.42

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
SCHEMBL15876051 0.89 FPR3 (0.48) FPR3FPR2SMN1; SMN2MAPTKMT2A
SCHEMBL6368466 0.85 FPR3 (0.44) FPR3FPR2GRK2SMN1; SMN2MAPT
SCHEMBL3763507 0.82 VSIR (0.53) FPR3FPR2MAPTMAPK1KMT2A
SCHEMBL12121617 0.82 MAPT (0.55) GRK2MAPTHPGDKMT2ALMNA
SCHEMBL7429994 0.82 CASR (0.52) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL24077532 0.81 ALDH1A1 (0.53) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL4119738 0.81 ALDH1A1 (0.47) FPR3FPR2SMN1; SMN2MAPTHDAC4
SCHEMBL1433839 0.81 MEN1 (0.47) FPR3FPR2GRK2SMN1; SMN2MAPT
SCHEMBL14065391 0.81 HDAC3 (0.46) FPR3FPR2SMN1; SMN2MAPTHDAC3
SCHEMBL30936914 0.81 FPR3 (0.48) FPR3FPR2GRK2SMN1; SMN2MAPT

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
WO-2019051207-A1 ANALOGS OF PROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR) AGONISTS AND METHODS OF USING THE SAME THE UNIVERSITY OF TOLEDO (US) 2019-03-14 WO disclosed