SCHEMBL6467322

SCHEMBL6467322

CC(C)CCN(C(=O)O)C(=O)N[C@@H](CCc1ccccc1)C(O)C1=NC(C)(C)CO1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
TMPRSS11D O60235 3/20 0.33
CTRL P40313 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL7046552 0.90 ATM (0.33) SMN1; SMN2
SCHEMBL6467733 0.84 ALDH1A1 (0.36) KMT2AHPGDMEN1CYP2C19POLB
SCHEMBL6466197 0.77 FAAH (0.36) HTTSMN1; SMN2
SCHEMBL7466136 0.77 FAAH (0.36) HTTSMN1; SMN2
SCHEMBL7044233 0.74 ATM (0.35) SMN1; SMN2ALDH1A1
SCHEMBL6063677 0.73 ALOX12 (0.46) KMT2ACYP2C19ALDH1A1TSHR
SCHEMBL6466391 0.72 LMNA (0.35) KMT2ATMPRSS11DCTRLHPGDCYP2C19
SCHEMBL7575216 0.71 FAAH (0.36) HPGDPOLBHTTSMN1; SMN2
SCHEMBL6467033 0.71 FAAH (0.36) HPGDPOLBHTTSMN1; SMN2
SCHEMBL6463146 0.71 ATM (0.32) SMN1; SMN2ALDH1A1

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed