SCHEMBL28430401

SCHEMBL28430401

O=C(Cl)OCc1cccc2c1C(Cl)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
FABP7 O15540 3/20 0.34
FABP5 Q01469 3/20 0.34
FABP3 P05413 1/20 0.34
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
PPIA P62937 2/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL1934600 0.81 ALDH1A1 (0.40) ALDH1A1EPHX2KMT2APOLBFABP7
SCHEMBL8987674 0.81 ALDH1A1 (0.40) ALDH1A1EPHX2KMT2APOLBFABP7
SCHEMBL31358686 0.74 HTR2A (0.34) PPIA
SCHEMBL7163449 0.71 ALDH1A1 (0.56) ALDH1A1KMT2AFABP7FABP5FABP3
SCHEMBL7594932 0.70 FABP5 (0.51) ALDH1A1EPHX2KMT2AFABP7FABP5
SCHEMBL29349891 0.69 KMT2A (0.55) ALDH1A1EPHX2KMT2APOLBFABP7
SCHEMBL27547 0.69 KMT2A (0.55) ALDH1A1EPHX2KMT2APOLBFABP7
SCHEMBL140814 0.69 ALDH1A1 (0.57) ALDH1A1KMT2APOLBFABP5MMP1
SCHEMBL8158167 0.69 ALDH1A1 (0.57) ALDH1A1TSHRPPARG
SCHEMBL9449543 0.69 EPHX2 (0.42) EPHX2KMT2APOLBFABP7FABP5

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-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 CN disclosed