SCHEMBL9834893

SCHEMBL9834893

O=C(C#Cc1ccccc1)Oc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.47
FFAR1 O14842 2/20 0.46
MRGPRX4 Q96LA9 14/20 0.46

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
SCHEMBL3860646 0.78 FFAR1 (0.49) PTGDR2FFAR1MRGPRX4
SCHEMBL11211423 0.77 MRGPRX4 (0.56) FFAR1MRGPRX4
Hydrochloric Acid SCHEMBL3870666 0.77 FFAR1 (0.48) PTGDR2FFAR1MRGPRX4
SCHEMBL5277735 0.76 MRGPRX4 (0.51) FFAR1MRGPRX4
SCHEMBL5769694 0.73 KDM4E (0.60) FFAR1MRGPRX4
SCHEMBL3712182 0.73 MRGPRX4 (0.53) FFAR1MRGPRX4
SCHEMBL9003844 0.71 FFAR1 (0.60) FFAR1MRGPRX4
SCHEMBL17356416 0.71 MRGPRX4 (0.52) FFAR1MRGPRX4
SCHEMBL17356454 0.70 MRGPRX4 (0.51) FFAR1MRGPRX4
SCHEMBL10924171 0.69 CCR1 (0.60) FFAR1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219154-B1 FURYL COMPOUNDS, THEIR USE AS FUNGICIDES AND THEIR PREPARATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-11-13 EP disclosed
EP-0219154-A2 Furyl compounds, their use as fungicides and their preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-04-22 EP disclosed