SCHEMBL7361380

SCHEMBL7361380

O=C(O)C(COc1ccccc1)C1CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ALOX15 P16050 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
APEX1 P27695 1/20 0.39
GRM5 P41594 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL7402157 0.75 CYP1A2 (0.46) ALDH1A1CYP1A2LMNACYP2C9CYP2C19
SCHEMBL7361069 0.74 CYP1A2 (0.45) ALDH1A1CYP1A2LMNAMTNR1AMTNR1B
SCHEMBL7365439 0.73 HRH1 (0.43) FFAR4PPARAALDH1A1KDM4E
SCHEMBL7358486 0.72 CYP1A2 (0.43) ALDH1A1CYP1A2LMNACYP2C9CYP2C19
SCHEMBL7363747 0.72 GRM2 (0.44) ALDH1A1CYP1A2LMNAMTNR1AMTNR1B
SCHEMBL7398125 0.71 GRM2 (0.48) ALDH1A1CYP1A2GRM2GRM3KMT2A
SCHEMBL5053068 0.71 CFTR (0.42) ALDH1A1CYP1A2LMNACYP2C9CYP2C19
SCHEMBL5512521 0.70 LMNA (0.57) PPARGPPARAALDH1A1LMNAMTNR1A
SCHEMBL10288771 0.70 FFAR4 (0.74) FFAR4
SCHEMBL10254312 0.70 FFAR4 (0.74) FFAR4

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