SCHEMBL17387647

SCHEMBL17387647

COc1ccc(-c2ccc(-c3cc(CC(=O)O)ccc3OC)c(CNCCC(=O)C3CC3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 20/20 0.53
▸ PTGDR Q13258 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ TBXA2R P21731 2/20 0.40

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
SCHEMBL154253 0.94 PTGDR2 (0.61) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL10324110 0.88 PTGDR2 (0.69) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL153753 0.87 PTGDR2 (0.67) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL154091 0.87 PTGDR2 (0.59) PTGDR2PTGDRCYP3A4
SCHEMBL151412 0.86 PTGDR2 (0.68) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL139479 0.85 PTGDR2 (0.58) PTGDR2PTGDRTBXA2R
SCHEMBL150473 0.85 PTGDR2 (0.68) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL151340 0.85 PTGDR2 (0.58) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL151861 0.84 PTGDR2 (0.54) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL139647 0.83 PTGDR2 (0.55) PTGDR2PTGDRTBXA2R

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
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 — — EP disclosed
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