SCHEMBL8724141

SCHEMBL8724141

CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSK P43235 6/20 0.49
IL1RN P18510 3/20 0.47
ERAP2 Q6P179 3/20 0.47
ERAP1 Q9NZ08 3/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
PTPN1 P18031 1/20 0.46
GAA P10253 1/20 0.45
TAAR1 Q96RJ0 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
SCHEMBL17446739 0.94 ALDH1A1 (0.48) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL30480138 0.91 CTSK (0.52) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL17344012 0.89 ALDH1A1 (0.51) MEN1ALDH1A1HPGDKMT2ACTSL
SCHEMBL22301197 0.89 ALDH1A1 (0.51) MEN1ALDH1A1HPGDKMT2ACTSL
SCHEMBL8851532 0.88 ALDH1A1 (0.53) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL8851538 0.88 ALDH1A1 (0.53) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL8726503 0.88 ALDH1A1 (0.53) MEN1ALDH1A1HPGDKMT2ACTSK
SCHEMBL27824395 0.88 CTSK (0.58) CTSKCTSSCTSBCTSL
SCHEMBL11209394 0.88 CTSK (0.58) CTSKCTSSCTSBCTSL
SCHEMBL17347888 0.87 ALDH1A1 (0.52) MEN1ALDH1A1HPGDKMT2ACTSL

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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed