SCHEMBL3931978

SCHEMBL3931978

Cc1ccc(COc2ccc(CC(=O)O)cc2CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
STAT3 P40763 1/20 0.53
PTGDR2 Q9Y5Y4 4/20 0.53
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL3932364 0.97 PTGDR2 (0.55) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3928769 0.95 PTGDR2 (0.61) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3937820 0.95 PTGDR2 (0.58) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3929213 0.95 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3928709 0.95 TP53 (0.55) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3931983 0.93 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3932032 0.93 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3936773 0.93 PTGDR2 (0.60) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3937365 0.93 PTGDR2 (0.53) MEN1KMT2AKDM4EALDH1A1STAT3
SCHEMBL3934199 0.90 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1STAT3

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 4 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 claimed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO claimed
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