SCHEMBL7369261

SCHEMBL7369261

COc1cccc(CCC(C(=O)O)C2CC2C(=O)O)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
NPC1 O15118 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
HPSE Q9Y251 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.38
ECE1 P42892 1/20 0.38

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
SCHEMBL7368285 0.89 PTGFR (0.45) KMT2AMEN1
SCHEMBL7362412 0.79 HSD17B10 (0.48) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL7365439 0.79 HRH1 (0.43) ALDH1A1KDM4E
SCHEMBL7367030 0.78 PTGER1 (0.42) ALDH1A1KMT2AMEN1
SCHEMBL7362960 0.78 GRM2 (0.55) ALDH1A1KMT2AMEN1
SCHEMBL7360786 0.77 LDHA (0.47) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL7368270 0.76 GRM2 (0.52) ALDH1A1KMT2ATSHRMAPT
SCHEMBL7363028 0.75 SLC6A2 (0.41) ALDH1A1KMT2AMEN1NPC1HIF1A
SCHEMBL7363860 0.75 PTGER1 (0.42) ALDH1A1
SCHEMBL7331445 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CTSGCMA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed