SCHEMBL7867322

SCHEMBL7867322

CCOc1ccc(C(CC(=O)O)NC(=O)c2cccc(OC)c2)cc1OCC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
NPSR1 Q6W5P4 4/20 0.60
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 3/20 0.53
MEN1 O00255 3/20 0.52
TAS1R3 Q7RTX0 2/20 0.52
TAS1R1 Q7RTX1 2/20 0.52
CTSA P10619 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ITGA2 P17301 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7874393 0.92 NPSR1 (0.57) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7867583 0.91 NPSR1 (0.58) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7867528 0.89 KMT2A (0.62) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7872611 0.89 NPSR1 (0.73) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7874392 0.87 NPSR1 (0.60) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7874397 0.83 ALDH1A1 (0.56) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7867590 0.82 NPSR1 (0.71) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7867554 0.81 TAS1R3 (0.56) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7876133 0.80 NPSR1 (0.71) KMT2ASMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7872607 0.80 TAS1R3 (0.53) KMT2ASMN1; SMN2NPSR1LMNAMAPT

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-0800505-B1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORP (US) 2001-09-26 EP claimed