SCHEMBL3932024

SCHEMBL3932024

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.51
▸ EGLN1 Q9GZT9 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ GLS O94925 3/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41

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
SCHEMBL3937537 0.85 ALDH1A1 (0.49) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL25217296 0.85 VEGFA (0.52) VEGFAEGLN1ALDH1A1GLSCHRM2
SCHEMBL14367476 0.85 VEGFA (0.45) VEGFAEGLN1GLSCHRM2CHRM4
SCHEMBL14367471 0.81 NPSR1 (0.43) VEGFAEGLN1ALDH1A1CA12CA1
SCHEMBL3939019 0.81 GLS (0.43) VEGFAEGLN1ALDH1A1CA12CA1
SCHEMBL4505464 0.81 VEGFA (0.61) VEGFAEGLN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27539906 0.79 VEGFA (0.53) VEGFAEGLN1ALDH1A1CA12CA1
SCHEMBL18021941 0.79 VEGFA (0.48) VEGFAEGLN1ALDH1A1CA12CA1
SCHEMBL14367070 0.78 ALDH1A1 (0.49) ALDH1A1GAAGFERSMN1; SMN2MAPT
SCHEMBL1668509 0.78 JAK2 (0.45) ALDH1A1GAAGFERSMN1; SMN2LMNA

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
Send feedback