SCHEMBL7874408

SCHEMBL7874408

CCOc1ccc(C(NC(=O)c2ccccc2)C(C)C(=O)O)cc1OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
F7 P08709 1/20 0.45

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
SCHEMBL7867548 0.89 NPSR1 (0.51) NPSR1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7874397 0.88 ALDH1A1 (0.56) NPSR1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7872611 0.80 NPSR1 (0.73) NPSR1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7876133 0.78 NPSR1 (0.71) NPSR1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL7867590 0.78 NPSR1 (0.71) NPSR1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL14730658 0.77 LMNA (0.65) NPSR1SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3666480 0.73 AKR1C3 (0.63) NPSR1SMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8863111 0.73 NPSR1 (0.55) NPSR1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL13753812 0.72 TAS1R3 (0.61) NPSR1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7174425 0.72 PDE4A (0.53) NPSR1SMN1; SMN2MAPTLMNAKMT2A

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