SCHEMBL6686979

SCHEMBL6686979

CC(C)(C)OC(=O)NC(CC(=O)O)CC(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
SYK P43405 1/20 0.44
CTSS P25774 5/20 0.44
CTSK P43235 4/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
APP P05067 2/20 0.42
ACE P12821 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
AKT1 P31749 2/20 0.40
PPARD Q03181 2/20 0.40

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
SCHEMBL6684772 0.82 CA1 (0.49) ATMSYKCTSSCTSKCTSL
SCHEMBL489490 0.81 ATM (0.70) ATMSYKCTSSCTSKCTSL
SCHEMBL6504238 0.81 PPARA (0.55) ATMCTSSCTSKCTSLCTSB
SCHEMBL1519945 0.81 ATM (0.70) ATMSYKCTSSCTSKCTSL
SCHEMBL489489 0.81 ATM (0.70) ATMSYKCTSSCTSKCTSL
SCHEMBL3493706 0.78 CTSK (0.58) ATMSYKCTSSCTSKCTSL
SCHEMBL825574 0.78 CTSK (0.58) ATMSYKCTSSCTSKCTSL
SCHEMBL6685929 0.78 SYK (0.59) ATMSYKCTSSCTSKCTSL
SCHEMBL6685926 0.78 SYK (0.59) ATMSYKCTSSCTSKCTSL
SCHEMBL8351269 0.78 ATM (0.45) ATMSYKCTSSCTSKCTSL

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-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed