SCHEMBL9839451

SCHEMBL9839451

CCC(N)c1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 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
SCHEMBL9840091 0.86 ALDH1A1 (0.44) ALDH1A1ALOX15POLBKMT2ATDP1
SCHEMBL3262898 0.85 KDM4E (0.44) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL133469 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15POLBKMT2ATDP1
SCHEMBL14660916 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15KMT2ATDP1GAA
SCHEMBL13951792 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15POLBKMT2ATDP1
SCHEMBL21436026 0.81 ALDH1A1 (0.51) ALDH1A1ALOX15POLBKMT2ATDP1
SCHEMBL8894583 0.80 ALPI (0.52) ALDH1A1ALOX15KMT2ATDP1GAA
SCHEMBL5607279 0.79 LMNA (0.50) ALDH1A1ALOX15POLBKMT2ATDP1
SCHEMBL5428376 0.79 ALDH1A1 (0.51) ALDH1A1ALOX15POLBKMT2ATDP1
SCHEMBL21961149 0.79 TSHR (0.57) ALDH1A1ALOX15POLBKMT2ATDP1

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-0254009-B1 A PROCESS FOR PURIFYING DINITROANILINE HERBICIDES AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1991-04-17 EP claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed