SCHEMBL23668199

SCHEMBL23668199

O=C(O)CC(O)c1cc(-c2ccc(Cl)cc2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
CTSA P10619 4/20 0.42
MME P08473 1/20 0.40
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
CYP2C9 P11712 3/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
ERCC5 P28715 1/20 0.38

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
SCHEMBL28782170 0.87 EEF2K (0.42) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL28782168 0.87 EEF2K (0.42) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL29653390 0.87 EEF2K (0.42) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL21834314 0.83 CNR2 (0.39) LMNAMEN1KMT2A
SCHEMBL21834317 0.81 TSHR (0.41) CTSAMMELMNAMEN1KMT2A
SCHEMBL30916837 0.81 TSHR (0.41) CTSAMMELMNAMEN1KMT2A
SCHEMBL7438770 0.75 FFAR1 (0.42) FFAR1MMEERCC5FEN1HTR2C
SCHEMBL7429766 0.74 FFAR1 (0.44) FFAR1CTSAMMEGABBR2GABBR1
SCHEMBL20545648 0.73 FFAR1 (0.51) FFAR1CTSALMNATSHR
SCHEMBL20545647 0.73 FFAR1 (0.51) FFAR1CTSALMNATSHR

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
EP-3854788-A1 COMPOUND CONTAINING OXADIAZOLE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK Biopharmaceuticals Co., Ltd. (KR) 2021-07-28 EP disclosed