SCHEMBL27622503

SCHEMBL27622503

COc1cccc(C(=O)N2c3ccccc3C(NC(=O)C(C)c3ccccc3)CC2C)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.57
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4123938 0.87 PTGDR2 (0.63) PTGDR2LMNASMN1; SMN2
SCHEMBL4123944 0.83 LMNA (0.66) PTGDR2LMNASMN1; SMN2
SCHEMBL4129242 0.83 LMNA (0.66) PTGDR2LMNASMN1; SMN2
SCHEMBL27622502 0.81 PTGDR2 (0.56) PTGDR2LMNASMN1; SMN2
SCHEMBL6289374 0.80 PTGDR2 (0.55) PTGDR2LMNASMN1; SMN2
SCHEMBL6070644 0.78 PTGDR2 (0.70) PTGDR2
SCHEMBL6070649 0.78 PTGDR2 (0.70) PTGDR2
SCHEMBL5319959 0.78 PTGDR2 (0.70) PTGDR2
SCHEMBL6420229 0.78 PTGDR2 (0.70) PTGDR2
SCHEMBL4128957 0.78 PTGDR2 (0.67) PTGDR2SMN1; SMN2

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
CN-1720047-A PgD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2006-01-11 CN claimed