SCHEMBL7363028

SCHEMBL7363028

O=C(O)C(CCc1ccccc1Cl)C1CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD11B1 P28845 1/20 0.38
HIF1A Q16665 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
CASR P41180 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL7367030 0.84 PTGER1 (0.42) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL7363860 0.84 PTGER1 (0.42) PPARGPPARAKDM1AALDH1A1CYP1A2
SCHEMBL7368270 0.82 GRM2 (0.52) KMT2AALDH1A1CYP1A2SMN1; SMN2GRM2
SCHEMBL7399248 0.81 HSD17B10 (0.45) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL7368285 0.81 PTGFR (0.45) MEN1KMT2AKDM1ATAAR1SMN1; SMN2
SCHEMBL7365439 0.80 HRH1 (0.43) SLC6A2SLC6A4SLC6A3PPARAALDH1A1
SCHEMBL7366774 0.78 GRM2 (0.48) TAAR1SMN1; SMN2GRM2
SCHEMBL7360104 0.76 CYP1A2 (0.46) CYP1A2
SCHEMBL7401586 0.76 SLC7A5 (0.38) MEN1KMT2AALDH1A1CYP1A2GRM2
SCHEMBL7361069 0.76 CYP1A2 (0.45) MEN1KMT2AALDH1A1CYP1A2TAAR1

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