SCHEMBL7222771

SCHEMBL7222771

COC(=O)C(CC(C)C)NCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
TAS1R3 Q7RTX0 6/20 0.45
TAS1R1 Q7RTX1 6/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
PDCD1 Q15116 1/20 0.43

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
SCHEMBL8257877 1.00 CTSB (0.46) CTSBCTSLCTSSCTSKSMN1; SMN2
SCHEMBL5870333 0.87 SMN1; SMN2 (0.50) CTSBCTSLCTSSCTSKSMN1; SMN2
SCHEMBL3957174 0.81 ALDH1A1 (0.49) CTSKTAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL3957176 0.81 ALDH1A1 (0.49) CTSKTAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL6348182 0.80 DPP4 (0.47) CTSBCTSLCTSSCTSKSMN1; SMN2
SCHEMBL5869355 0.80 DPP4 (0.47) CTSBCTSLCTSSCTSKSMN1; SMN2
SCHEMBL2329487 0.77 KMT2A (0.54) SMN1; SMN2L3MBTL1MAPTKMT2ANPC1
SCHEMBL18775044 0.76 MMP1 (0.47) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL12009779 0.76 KMT2A (0.53) SMN1; SMN2L3MBTL1MAPTKMT2ANPC1
SCHEMBL12018733 0.76 DPP4 (0.44) CTSBCTSLCTSSCTSKSMN1; SMN2

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
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed