SCHEMBL8659451

SCHEMBL8659451

CCCCCCc1cc2c(cc1C#Cc1cnc(CC(=O)OCC)cn1)C(CC)(CC)CCO2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL7652229 0.92 PRKCA (0.32) PTGDR2
SCHEMBL8661225 0.91 ALDH1A1 (0.33)
SCHEMBL7656413 0.90 PTGDR2 (0.34) PTGDR2
SCHEMBL8661568 0.88 CYP3A4 (0.33) PTGDR2
SCHEMBL8663075 0.88
SCHEMBL8659693 0.87 NPC1 (0.32)
SCHEMBL8672858 0.86
SCHEMBL7650862 0.86 ALDH1A1 (0.31)
SCHEMBL8663165 0.86 CYP3A4 (0.37) PTGDR2
SCHEMBL7652859 0.85 CYP3A4 (0.33) PTGDR2

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
US-5750693-A THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS ALLERGAN (US) 1998-05-12 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 US disclosed