SCHEMBL7719488

SCHEMBL7719488

O=C(O)CCC(NC(=O)CCC(=O)Oc1ccc(N(CCCl)CCCl)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 3/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
THPO P40225 2/20 0.43
PMP22 Q01453 2/20 0.43
GMNN O75496 1/20 0.43
CYP2D6 P10635 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CYP3A4 P08684 3/20 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
SCHEMBL7902705 0.86 LMNA (0.49) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL4469539 0.86 LMNA (0.49) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL7900436 0.83 KMT2A (0.69) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL8723896 0.83 KMT2A (0.69) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL7717389 0.79 ALDH1A1 (0.50) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL9014687 0.78 CA2 (0.56) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL1064767 0.78 CA2 (0.56) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL8721907 0.78 LMNA (0.47) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL8724851 0.77 KMT2A (0.42) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL7902770 0.77 LMNA (0.43) KMT2ALMNAALDH1A1SMN1; SMN2HIF1A

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-6436691-B1 CONJUGATE WHICH IS SUBSTANTIALLY NON-IMMUNOGENIC IN HUMANS COMPRISING TARGETING MOIETY CAPABLE OF BINDING WITH TUMOR ASSOCIATED ANTIGEN LINKED TO MUTATED FORM OF CARBOXYPEPTIDASE B ENZYME CAPABLE OF CONVERTING PRODRUG INTO ANTICANCER DRUG ZENECA LIMITED (GB) 2002-08-20 US disclosed