SCHEMBL7400111

SCHEMBL7400111

Cc1cccc(CCC(C(=O)O)C2CC2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.52
GRM3 Q14832 3/20 0.52
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
FFAR1 O14842 1/20 0.38
CTBP2 P56545 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7365726 0.85 GRK2 (0.40) GRM2GRM3ALDH1A1TAAR1FFAR1
SCHEMBL7364857 0.85 GRM2 (0.52) GRM2GRM3
SCHEMBL7362960 0.84 GRM2 (0.55) GRM2GRM3ALDH1A1MEN1KMT2A
SCHEMBL7361669 0.84 SMN1; SMN2 (0.42) GRM2GRM3ALDH1A1MEN1KMT2A
SCHEMBL7360104 0.80 CYP1A2 (0.46) CYP1A2
SCHEMBL7367030 0.79 PTGER1 (0.42) ALDH1A1MEN1KMT2ATAAR1FFAR1
SCHEMBL7401586 0.77 SLC7A5 (0.38) GRM2GRM3ALDH1A1MEN1KMT2A
SCHEMBL7399248 0.76 HSD17B10 (0.45) GRM2GRM3ALDH1A1MEN1KMT2A
SCHEMBL7396689 0.76 KMT2A (0.37) GRM2GRM3ALDH1A1MEN1KMT2A
SCHEMBL7364664 0.76 RARB (0.38) GRM2GRM3ALDH1A1MEN1MAPT

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 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