SCHEMBL20166345

SCHEMBL20166345

O=Cc1ccc(C(F)(F)F)cc1OCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
TSHR P16473 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LTB4R Q15722 2/20 0.41
TBXA2R P21731 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PPARD Q03181 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HTT P42858 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
SCHEMBL21822736 0.93 PTGDR2 (0.43) MGLLPTGDR2FFAR1KDM4EUSP2
SCHEMBL20137041 0.84 RXRA (0.38) MGLLPTGDR2KDM4EUSP2ALDH1A1
SCHEMBL953869 0.82 PTGDR2 (0.48) PTGDR2ALDH1A1HPGDHSD17B10POLB
SCHEMBL22090766 0.81 KDM4E (0.45) TSHRPTGDR2KDM4EUSP2ALDH1A1
SCHEMBL8156747 0.81 LTB4R (0.50) MGLLTSHRPTGDR2FFAR1LTB4R
SCHEMBL955509 0.80 CYP1A1 (0.46) PTGDR2KDM4EUSP2ALDH1A1HPGD
SCHEMBL31136545 0.80 ALDH1A1 (0.42) PTGDR2KDM4EUSP2ALDH1A1HPGD
SCHEMBL30924877 0.79 TSHR (0.51) TSHRPTGDR2FFAR1KDM4EALDH1A1
SCHEMBL30924879 0.79 TSHR (0.51) TSHRPTGDR2FFAR1KDM4EALDH1A1
SCHEMBL21722870 0.78 APP (0.46) PTGDR2KDM4EUSP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
EP-3541820-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
WO-2018093949-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed