SCHEMBL9301489

SCHEMBL9301489

CSC1(SC)CCOc2ccc(C#Cc3cncc(CCCCC(=O)O)n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.36

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
SCHEMBL9303290 0.90 CYP3A4 (0.35) PTGER4
SCHEMBL9304108 0.89 RARA (0.39) PTGER4
SCHEMBL9302600 0.89 CYP26A1 (0.33) PTGER4
SCHEMBL9302094 0.85
SCHEMBL9301914 0.84 PTGER4 (0.35) PTGER4
SCHEMBL9301905 0.83 PTGER4 (0.38) PTGER4
SCHEMBL9303922 0.81 CYP3A4 (0.37)
SCHEMBL9304041 0.78 RARA (0.41) PTGER4
SCHEMBL9817676 0.78 FFAR1 (0.47)
SCHEMBL6664615 0.77 CYP3A4 (0.35) PTGER4

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-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US claimed