SCHEMBL7693294

SCHEMBL7693294

CCCn1cc(NC(=O)OC(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
P2RX7 Q99572 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BRD4 O60885 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CYP17A1 P05093 2/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
ACSS2 Q9NR19 1/20 0.31

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
SCHEMBL7057039 0.85 CNR2 (0.46) CNR2P2RX7BRD9BRD4KMT2A
SCHEMBL7253920 0.83 CNR2 (0.44) CNR2P2RX7BRD9BRD4KMT2A
SCHEMBL6831525 0.74 ALDH1A1 (0.42) CNR2CRHBPCRHR2KMT2AALDH1A1
SCHEMBL7055809 0.74 CNR2 (0.42) CNR2P2RX7CA12CA1CA7
SCHEMBL6834321 0.69 CNR2 (0.38) CNR2P2RX7BRD9BRD4ALDH1A1
SCHEMBL7056759 0.68 TYR (0.37) CNR2ALDH1A1
SCHEMBL25833918 0.68 CNR2 (0.38) CNR2BRD9KMT2AALDH1A1MEN1
SCHEMBL20905421 0.68 CNR2 (0.44) CNR2P2RX7BRD4ALDH1A1DRD2
SCHEMBL22857998 0.66 IRAK4 (0.45) CNR2P2RX7BRD9BRD4GSK3B
SCHEMBL21868962 0.64 CNR2 (0.36) CNR2CRHBPCRHR2KMT2AALDH1A1

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-2002004417-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4-AMINO-3-HYDROXYPYRROLE-2-CARBOXYLIC ACID PHARMACIA CORPORAION (US) 2002-01-17 WO disclosed