SCHEMBL11429554

SCHEMBL11429554

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
BCAT2 O15382 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 1/20 0.40
HNF4A P41235 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29385679 0.79 KMT2A (0.50) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL4120437 0.79 KMT2A (0.50) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL4886483 0.78 LMNA (0.50) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL11109504 0.77 KMT2A (0.49) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL7380110 0.77 ALDH1A1 (0.44) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL1210867 0.76 CYP2A6 (0.48) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL20513886 0.76 KMT2A (0.47) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL20513884 0.76 KMT2A (0.47) KMT2ABCAT2ALDH1A1HPGDBCL2L1
SCHEMBL2393839 0.76 PTGS2 (0.56) KMT2ABCAT2HPGDPPARAPPARG
SCHEMBL2391709 0.76 KMT2A (0.47) KMT2ABCAT2ALDH1A1HPGDBCL2L1

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-4227016-A REACTING GLYOXYLIC ACID, HYDROCHLORIC ACID AND AN AROMATIC COMPOUND HOECHST FRANCE (FR) 1980-10-07 US disclosed