SCHEMBL7057039

SCHEMBL7057039

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
P2RX7 Q99572 1/20 0.35
DRD2 P14416 3/20 0.32
DRD3 P35462 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
USP2 O75604 1/20 0.30
G6PD P11413 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP17A1 P05093 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL7253920 0.88 CNR2 (0.44) CNR2P2RX7BRD9BRD4ALDH1A1
SCHEMBL7693294 0.85 CNR2 (0.47) CNR2P2RX7DRD2BRD9BRD4
SCHEMBL6834321 0.83 CNR2 (0.38) CNR2P2RX7DRD2BRD9BRD4
SCHEMBL6835329 0.76 MKNK2 (0.41) CNR2ALDH1A1KMT2ALMNANPC1
SCHEMBL14271848 0.75 APOBEC3A (0.40) CNR2DRD2DRD3ALDH1A1NPC1
SCHEMBL7055809 0.72 CNR2 (0.42) CNR2P2RX7DRD2BRD9BRD4
SCHEMBL25833918 0.69 CNR2 (0.38) CNR2BRD9ALDH1A1KMT2ACYP17A1
SCHEMBL31017361 0.67 GSK3B (0.37) CNR2ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL25750456 0.67 GSK3B (0.37) CNR2ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL7607973 0.66 CASR (0.52) BRD9ALDH1A1KMT2ASMN1; SMN2LMNA

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
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed
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