SCHEMBL8158938

SCHEMBL8158938

COC=C(C(=O)OC)c1ccccc1COc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.63

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
SCHEMBL29381938 1.00 MRGPRX4 (0.63) MRGPRX4
SCHEMBL8158936 1.00 MRGPRX4 (0.63) MRGPRX4
SCHEMBL29740791 0.91 MRGPRX4 (0.62) MRGPRX4
SCHEMBL16743013 0.91 MRGPRX4 (0.62) MRGPRX4
SCHEMBL8165185 0.91 MRGPRX4 (0.51) MRGPRX4
SCHEMBL8165193 0.91 MRGPRX4 (0.51) MRGPRX4
SCHEMBL17200662 0.90 MRGPRX4 (0.60) MRGPRX4
SCHEMBL8158229 0.85 MRGPRX4 (0.50) MRGPRX4
SCHEMBL8158236 0.85 MRGPRX4 (0.50) MRGPRX4
SCHEMBL7170044 0.84 HTT (0.60) MRGPRX4

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
US-6084120-A ACTIVE AGAINST CHLOROQUINE-SENSITIVE PATIENTS AND AGAINST CHLOROQUINE-RESISTANT MALARIA PATHOGENS; PROPHYLAXIS AND TREATMENT; E.G., A 3 METHOXY-2-(2-(4-PHENYLBUTA-1,3-DIEN-1-YL)PHENYL)ACRYLIC ACID HOFFMANN-LA ROCHE INC. (US) 2000-07-04 US disclosed