SCHEMBL7360108

SCHEMBL7360108

O=C(O)CCC(c1ccc2ccccc2c1)C1CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 7/20 0.40
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
FFAR1 O14842 1/20 0.37
UTS2R Q9UKP6 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
UGT2B7 P16662 1/20 0.36

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 0.81 NAALAD2 (0.42) CYP1A2CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL7366777 0.80 HSD11B1 (0.42) CYP1A2ALDH1A1
SCHEMBL7364668 0.80 ANPEP (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL7396691 0.80 TSHR (0.36) CYP1A2CYP2C9CYP3A4CYP2C19MAPT
SCHEMBL7361675 0.80 CA1 (0.41) CYP1A2ALDH1A1FFAR1
SCHEMBL7399249 0.80 GABBR2 (0.39) CYP1A2CYP2C9CYP3A4CYP2C19TSHR
SCHEMBL7400114 0.80 SLC6A9 (0.41) HDAC1CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL7364859 0.80 ANPEP (0.43) CYP1A2ALDH1A1
SCHEMBL7365727 0.80 SLC6A9 (0.41) CYP1A2ALDH1A1FFAR1
SCHEMBL7362964 0.79 FFAR1 (0.45) FFAR1SLC6A2SLC6A4SLC6A3

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