SCHEMBL5772077

SCHEMBL5772077

OC(c1cccc(OCc2ccccc2)c1)C(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 1/20 0.60
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
MAOB P27338 5/20 0.57
NR4A2 P43354 1/20 0.57
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
SGMS2 Q8NHU3 1/20 0.56
BCHE P06276 2/20 0.54
ALOX5 P09917 2/20 0.53
MAOA P21397 1/20 0.53
SMPD1 P17405 1/20 0.51

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
SCHEMBL5911726 1.00 KMT2A (0.62) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL11603161 0.98 KMT2A (0.63) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL20604382 0.91 KMT2A (0.62) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL20604383 0.91 KMT2A (0.62) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL477599 0.88 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL30863337 0.88 KMT2A (0.61) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL23923495 0.87 KMT2A (0.61) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL4162550 0.87 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL12221485 0.87 KMT2A (0.61) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11
SCHEMBL31748975 0.87 KMT2A (0.61) KMT2ASMN1; SMN2MEN1CYP4F2CYP4A11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676635-A2 Immobilisable ligands derived from ethylenediamine Johnson Matthey PLC (GB) 2006-07-05 EP disclosed
EP-1545772-A2 NITROGEN-CONTAINING LIGANDS Johnson Matthey PLC (GB) 2005-06-29 EP disclosed
WO-2004014551-A2 IMMOBILISED LIGANDS DERIVED FROM ETHYLENEDIAMINE JOHNSON MATTHEY PLC (GB) 2004-02-19 WO disclosed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 US disclosed