SCHEMBL7364668

SCHEMBL7364668

O=C(O)CCC(c1ccc(C(=O)O)cc1)C1CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
USP5 P45974 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
SRD5A2 P31213 2/20 0.35
GRM6 O15303 2/20 0.34
LMNA P02545 2/20 0.34
GRM4 Q14833 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM8 O00222 1/20 0.34
APEX1 P27695 1/20 0.34
GRM5 P41594 1/20 0.34
PMP22 Q01453 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34

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
SCHEMBL7401588 0.87 NAALAD2 (0.42) ALDH1A1CYP1A2GRM6LMNAGRM4
SCHEMBL7399249 0.85 GABBR2 (0.39) TSHRCYP1A2LMNACYP2C9CYP2C19
SCHEMBL7366777 0.85 HSD11B1 (0.42) ALDH1A1CYP1A2GRM2GRM3MEN1
SCHEMBL7396691 0.85 TSHR (0.36) TSHRALDH1A1CYP1A2GRM6LMNA
SCHEMBL7361675 0.85 CA1 (0.41) ALDH1A1CYP1A2KMT2AFFAR1
SCHEMBL7364859 0.85 ANPEP (0.43) ANPEPALDH1A1CYP1A2GRM4APEX1
SCHEMBL7367347 0.79 GRM2 (0.37) ALDH1A1CYP1A2GRM6LMNAGRM4
SCHEMBL7400114 0.77 SLC6A9 (0.41) TDP1TSHRALDH1A1CYP1A2LMNA
SCHEMBL7365727 0.77 SLC6A9 (0.41) TDP1ALDH1A1CYP1A2LMNAGRM2
SCHEMBL7368272 0.74 CYP2C19 (0.41) TDP1TSHRALDH1A1CYP1A2CYP2C9

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