SCHEMBL28937417

SCHEMBL28937417

COc1ccc(F)c(-c2ccc3c(c2)OC(CO)CO3)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.50
MTNR1A P48039 1/20 0.48
BACE1 P56817 3/20 0.44
CTSD P07339 1/20 0.44
APP P05067 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
CLK1 P49759 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28714659 1.00 FFAR1 (0.50) FFAR1MTNR1ABACE1CTSDAPP
SCHEMBL28716707 0.84 FFAR1 (0.54) FFAR1MTNR1AALDH1A1GAAMAPT
SCHEMBL28720097 0.84 FFAR1 (0.54) FFAR1MTNR1AALDH1A1GAAMAPT
SCHEMBL29444764 0.84 MTNR1A (0.63) FFAR1MTNR1APOLBALDH1A1GAA
SCHEMBL6982719 0.84 MTNR1A (0.63) FFAR1MTNR1APOLBALDH1A1GAA
SCHEMBL1870686 0.84 MTNR1A (0.63) FFAR1MTNR1APOLBALDH1A1GAA
SCHEMBL11484008 0.79 MTNR1A (0.56) FFAR1MTNR1APOLBALDH1A1GAA
SCHEMBL28723005 0.72 FFAR1 (0.51) FFAR1MAPT
SCHEMBL28720094 0.72 FFAR1 (0.48) FFAR1MTNR1AALDH1A1LMNAMAPT
SCHEMBL28716720 0.72 FFAR1 (0.51) FFAR1MAPT

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-110092774-B Aromatic propionic acid derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-04-08 CN disclosed