SCHEMBL7360786

SCHEMBL7360786

COc1ccc(CCC(C(=O)O)C2CC2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.43
PTGFR P43088 1/20 0.43
F2RL1 P55085 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
FFAR1 O14842 1/20 0.41
SCN9A Q15858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL7362960 0.85 GRM2 (0.55) ALDH1A1KMT2APTGFRMEN1SMN1; SMN2
SCHEMBL7361669 0.85 SMN1; SMN2 (0.42) ALDH1A1KMT2APTGFRKDM4EMEN1
SCHEMBL7399248 0.82 HSD17B10 (0.45) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL7364664 0.82 RARB (0.38) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL7366774 0.82 GRM2 (0.48) PTGFRFFAR1SMN1; SMN2
SCHEMBL7396689 0.82 KMT2A (0.37) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL7362412 0.82 HSD17B10 (0.48) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7368285 0.80 PTGFR (0.45) KMT2APTGFRMEN1SMN1; SMN2
SCHEMBL7360104 0.78 CYP1A2 (0.46)
SCHEMBL7369261 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1

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