SCHEMBL9025697

SCHEMBL9025697

CC(=O)c1n[nH]c(C)c1CCO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HCAR2 Q8TDS4 2/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8536313 0.81 HCAR2 (0.43) HCAR2MEN1LMNAKMT2A
SCHEMBL9025999 0.81 PDE4D (0.53) KDM4EMEN1KMT2A
SCHEMBL9037584 0.81 HCAR2 (0.36) HCAR2MEN1LMNAKMT2A
SCHEMBL9025654 0.81 HCAR2 (0.40) KDM4EHCAR2LMNA
SCHEMBL9026160 0.77 HCAR2 (0.37) KDM4EHCAR2
SCHEMBL9026702 0.77 NPC1 (0.44)
SCHEMBL9026200 0.75 CHRNB2 (0.38) HCAR2
SCHEMBL14556096 0.74 KDM4E (0.57) KDM4EMEN1LMNAKMT2A
SCHEMBL9024908 0.74 HCAR2 (0.31) HCAR2
SCHEMBL9027062 0.71 HCAR2 (0.33) HCAR2

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-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed