SCHEMBL9301905

SCHEMBL9301905

CSC1(SC)CCOc2ccc(C#Cc3cnc(CCCCC(=O)O)nc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 20/20 0.38

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
SCHEMBL6665905 0.89 CYP3A4 (0.37) PTGER4
SCHEMBL9301731 0.89 CYP26A1 (0.41) PTGER4
SCHEMBL6665587 0.88 CYP26A1 (0.38) PTGER4
SCHEMBL9302230 0.86 PTGER4 (0.31) PTGER4
SCHEMBL9301914 0.85 PTGER4 (0.35) PTGER4
SCHEMBL9301489 0.83 PTGER4 (0.36) PTGER4
SCHEMBL9817676 0.81 FFAR1 (0.47)
SCHEMBL9302667 0.80 KMT2A (0.40)
SCHEMBL20636815 0.78 RARA (0.36) PTGER4
SCHEMBL20636871 0.77 KMT2A (0.42)

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