SCHEMBL27769491

SCHEMBL27769491

O=C(O)COCCN1C=CC=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.37
HRH1 P35367 3/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TEK Q02763 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RX4 Q99571 5/20 0.36
FPR2 P25090 1/20 0.34
NPC1 O15118 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL1133635 0.78 P2RX4 (0.41) P2RX4MTNR1AMTNR1BLMNATSHR
Hydrochloric Acid SCHEMBL3122652 0.77 P2RX4 (0.40) USP2P2RX4MTNR1AMTNR1BLMNA
Hydrochloric Acid SCHEMBL29383470 0.77 P2RX4 (0.40) USP2P2RX4MTNR1AMTNR1BLMNA
SCHEMBL20987115 0.73 MAPK1 (0.35) HRH1SLC6A2HTR2ASLC6A4DRD3
SCHEMBL7239877 0.69 SMN1; SMN2 (0.60) TDP1NPC1LMNATSHR
SCHEMBL9030241 0.68 P2RX4 (0.37) P2RX4LMNAMAPK1
SCHEMBL1989267 0.68 MEN1 (0.42) USP2TDP1P2RX4NPC1LMNA
SCHEMBL9030962 0.68 MAPT (0.38) TDP1P2RX4NPC1MTNR1AMTNR1B
SCHEMBL27498070 0.68 KMT2A (0.41) P2RX4LMNASCN9A
SCHEMBL21071084 0.67 SMN1; SMN2 (0.57) TDP1NPC1LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479008-A Benza  -oxyacetic acid derivatives as PPAR-delta agonists for raising HDL-C, lowering LDL-C and lowering cholesterol JANSSEN PHARMACEUTICA NV (BE) 2009-07-08 CN disclosed