SCHEMBL7362960

SCHEMBL7362960

COc1cccc(CCC(C(=O)O)C2CC2C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.55
GRM3 Q14832 1/20 0.55
PTGFR P43088 1/20 0.47
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
AOC3 Q16853 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTBP2 P56545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7360786 0.85 LDHA (0.47) PTGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7400111 0.84 GRM2 (0.52) GRM2GRM3TAAR1CYP1A2ALDH1A1
SCHEMBL7365726 0.81 GRK2 (0.40) GRM2GRM3TAAR1CYP1A2ALDH1A1
SCHEMBL7362412 0.80 HSD17B10 (0.48) MTNR1AMTNR1BTAAR1AOC3ALDH1A1
SCHEMBL31748828 0.80 POLB (0.49) GRM2GRM3PTGFRCYP1A2SIGMAR1
SCHEMBL7369261 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL7361669 0.76 SMN1; SMN2 (0.42) GRM2GRM3PTGFRALDH1A1SMN1; SMN2
SCHEMBL24440174 0.75 TAAR1 (0.53) MTNR1AMTNR1BTAAR1CYP1A2HDAC1
SCHEMBL7365439 0.75 HRH1 (0.43) ALDH1A1
SCHEMBL16147991 0.74 SLC1A5 (0.58) MTNR1AMTNR1BTAAR1CYP1A2SIGMAR1

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 6 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 claimed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP claimed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO claimed
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