SCHEMBL9811752

SCHEMBL9811752

CCOC(=O)[C@@H](C)Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.48
FFAR1 O14842 2/20 0.44
NR5A1 Q13285 6/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4E B2RXH2 3/20 0.42
RORA P35398 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9644424 0.89 MRGPRX4 (0.45) MRGPRX4FFAR1
SCHEMBL9646555 0.87 PTGDR2 (0.50) MRGPRX4FFAR1PTGDR2TSHR
SCHEMBL4007944 0.87 MRGPRX4 (0.51) MRGPRX4FFAR1PTGDR2
SCHEMBL9563083 0.86 SMN1; SMN2 (0.50) NR5A1KDM4ERORANPC1ALDH1A1
SCHEMBL11119306 0.85 FFAR1 (0.51) MRGPRX4FFAR1KDM4ENPSR1MAPT
SCHEMBL9571181 0.85 HPGD (0.59) MRGPRX4FFAR1ALDH1A1
SCHEMBL9314751 0.84 NR5A1 (0.50) NR5A1KDM4ERORANPC1ALDH1A1
SCHEMBL10963334 0.83 FFAR1 (0.58) MRGPRX4FFAR1PTGDR2MAPT
SCHEMBL9633459 0.81 FFAR1 (0.52) MRGPRX4FFAR1PTGDR2
SCHEMBL10644204 0.81 FFAR1 (0.52) MRGPRX4FFAR1PTGDR2

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
JP-1113331-A None JP disclosed
EP-0309864-B1 ALPHA-(5-ARYLOXY-NAPHTHALEN-1-YL-OXY)-PROPIONIC-ACID DERIVATIVES BAYER AG (DE) 1991-05-22 EP disclosed
JP-H01113331-A ALPHA-(5-ARYLOXYNAPHTHALEN-1-YLOXY)-PROPIONIC ACID DERIVATIVE BAYER AG 1989-05-02 JP disclosed