SCHEMBL7367032

SCHEMBL7367032

Cc1ccccc1C(CCC(=O)O)C1CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
FFAR1 O14842 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CPA3 P15088 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR3C2 P08235 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33

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
SCHEMBL7368286 0.84 LMNA (0.43) ALDH1A1CYP1A2PTGFRFFAR1CYP2D6
SCHEMBL7363863 0.84 CNR2 (0.36) ALDH1A1CYP1A2PTGER1PTGFRCYP2D6
SCHEMBL7363033 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2FFAR1CYP2D6TSHR
SCHEMBL7368272 0.82 CYP2C19 (0.41) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL7365442 0.80 FFAR4 (0.40) ALDH1A1CYP1A2FFAR1
SCHEMBL7361675 0.79 CA1 (0.41) ALDH1A1CYP1A2PTGFRFFAR1RAB9A
SCHEMBL7369266 0.78 KDM4E (0.38) ALDH1A1POLBRAB9A
SCHEMBL7400114 0.76 SLC6A9 (0.41) ALDH1A1CYP1A2PTGER1PTGFRFFAR1
SCHEMBL7362413 0.75 ADRA1A (0.42) CYP1A2CYP2D6TSHRCYP2C19POLB
SCHEMBL7401588 0.74 NAALAD2 (0.42) ALDH1A1CYP1A2FFAR1CYP2C19

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