SCHEMBL3928436

SCHEMBL3928436

COC(=O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCN(S(=O)(=O)c3ccsc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.48
CCR5 P51681 10/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3928324 0.91 PTGDR2 (0.54) PTGDR2CCR5TDP1
SCHEMBL4014322 0.91 PTGDR2 (0.55) PTGDR2CCR5ALDH1A1LMNAPOLB
SCHEMBL3934199 0.83 KDM4E (0.54) PTGDR2ALDH1A1LMNASMN1; SMN2
SCHEMBL3927913 0.81 CCR5 (0.48) PTGDR2CCR5POLB
SCHEMBL3928788 0.81 PTGDR2 (0.63) PTGDR2CCR5ALDH1A1LMNAPOLB
SCHEMBL3930674 0.81 CCR5 (0.55) CCR5
SCHEMBL3928362 0.81 CCR5 (0.55) PTGDR2CCR5ALDH1A1MAPK1
SCHEMBL3931547 0.80 CCR5 (0.62) CCR5LMNA
SCHEMBL3939227 0.80 ALDH1A1 (0.49) PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL3928218 0.80 ALDH1A1 (0.51) PTGDR2ALDH1A1LMNAPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed