SCHEMBL4075658

SCHEMBL4075658

CCOC(=O)c1cnn(CC(O)c2ccccc2)c1NC(=O)Nc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
CDC25C P30307 1/20 0.47
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR2 O60603 2/20 0.43
LMNA P02545 1/20 0.42
ADORA1 P30542 3/20 0.42
NTRK1 P04629 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CNR2 P34972 1/20 0.42
P2RY12 Q9H244 1/20 0.41
NTRK3 Q16288 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 0.90 ALDH1A1 (0.50) ALDH1A1HPGDCDC25ACDC25BCDC25C
SCHEMBL4066911 0.89 ALDH1A1 (0.49) ALDH1A1HPGDCDC25ACDC25BCDC25C
SCHEMBL18840973 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMAPTLMNAADORA1
SCHEMBL18840970 0.83 MAPT (0.48) ALDH1A1MAPTLMNAADORA1KDM4E
SCHEMBL18840958 0.83 ALDH1A1 (0.48) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL4067626 0.77 LMNA (0.55) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL4063973 0.77 LMNA (0.55) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL31065219 0.77 LMNA (0.55) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL3868209 0.76 ALDH1A1 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL4070954 0.74 HPGD (0.60) ALDH1A1HPGDMAPTSMN1; SMN2LMNA

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 2 patents. 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 claimed
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