SCHEMBL4066911

SCHEMBL4066911

CCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
CDC25B P30305 3/20 0.48
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TLR2 O60603 2/20 0.44
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
NTRK1 P04629 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX1 P07099 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL4072975 0.92 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL4075658 0.89 ALDH1A1 (0.47) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL4067626 0.88 LMNA (0.55) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL4065398 0.82 MAPT (0.49) ALDH1A1HPGDLMNAMAPTPAX8
SCHEMBL4062182 0.80 PAX8 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2PAX8
SCHEMBL31065219 0.80 LMNA (0.55) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL4063973 0.80 LMNA (0.55) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL4067165 0.80 MAPT (0.53) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL4066908 0.79 CYP3A4 (0.46) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL4066874 0.75 MAPT (0.47) ALDH1A1LMNAMAPTSMN1; SMN2PAX8

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-2033955-A1 Urea derivatives of 1H-pyrazol-4-carboxylic acid with neutrophil chemotaxis inhibiting activity Universita' Degli Studi Di Genova (IT) 2009-03-11 EP disclosed