SCHEMBL3939019

SCHEMBL3939019

COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.43
▸ VEGFA P15692 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ MGLL Q99685 6/20 0.40
▸ SETD7 Q8WTS6 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ IDO2 Q6ZQW0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3939039 0.90 KDM4E (0.41) MGLLKDM4EALDH1A1PKM
SCHEMBL3939320 0.84 CYP1A2 (0.39) KDM4EALDH1A1PKMDDR1CHRM2
SCHEMBL3932024 0.81 VEGFA (0.51) GLSVEGFAEGLN1CA12CA1
SCHEMBL14367471 0.80 NPSR1 (0.43) GLSVEGFAEGLN1CA12CA1
SCHEMBL14367476 0.79 VEGFA (0.45) GLSVEGFAEGLN1CHRM2CHRM4
SCHEMBL25217296 0.78 VEGFA (0.52) GLSVEGFAEGLN1MGLLALDH1A1
SCHEMBL20137033 0.72 MGLL (0.57) VEGFAEGLN1MGLLALDH1A1
SCHEMBL3928710 0.72 VEGFA (0.55) VEGFAEGLN1CA12CA1CA2
SCHEMBL2127345 0.72 CYP4F2 (0.43) CA5AALDH1A1PKM
SCHEMBL5738807 0.72 CA5A (0.51) CA5AKDM4EALDH1A1

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 3 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
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 — — WO disclosed
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