SCHEMBL19981468

SCHEMBL19981468

C=C(Oc1c(OC(=O)c2ccccc2)cc(C(C)C)cc1C(C)C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
JAK2 O60674 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15086004 0.95 FABP3 (0.38) KMT2AMAPTSMN1; SMN2SLC6A3MEN1
SCHEMBL498198 0.91 MAPT (0.44) KMT2AMAPTSMN1; SMN2SLC6A3MEN1
SCHEMBL15233880 0.82 KMT2A (0.40) KMT2AMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL15233984 0.80 KMT2A (0.42) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL2882737 0.78 KMT2A (0.42) KMT2AMAPTSMN1; SMN2SLC6A3MEN1
SCHEMBL2500899 0.78 MAPT (0.46) KMT2AMAPTSMN1; SMN2SLC6A3MEN1
SCHEMBL2478197 0.78 MAPT (0.44) KMT2AMAPTSMN1; SMN2SLC6A3MEN1
SCHEMBL15233822 0.77 ENPP3 (0.39) KMT2AMAPTSMN1; SMN2MEN1GAA
SCHEMBL30679620 0.77 MYC (0.42) KMT2AMAPTSLC6A3MEN1ESR1
SCHEMBL2480717 0.76 PDCD1 (0.44) KMT2AMAPTSMN1; SMN2SLC6A3MEN1

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
EP-2373702-B1 PROCATALYST COMPOSITION WITH SUBSTITUTED 1,2-PHENYLENE AROMATIC DIESTER INTERNAL DONOR AND METHOD GRACE W R & CO (US) 2018-03-21 EP disclosed