SCHEMBL3937537

SCHEMBL3937537

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ GAA P10253 4/20 0.49
▸ GFER P55789 1/20 0.49
▸ FAAH O00519 3/20 0.46
▸ KDM4E B2RXH2 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 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
SCHEMBL3932024 0.85 VEGFA (0.51) ALDH1A1GAAGFERFAAHKDM4E
SCHEMBL3927266 0.84 MCL1 (0.49) ALDH1A1GAAFAAHKDM4ESMN1; SMN2
SCHEMBL25244127 0.83 SMN1; SMN2 (0.53) ALDH1A1FAAHKDM4ESMN1; SMN2POLB
SCHEMBL14367070 0.83 ALDH1A1 (0.49) ALDH1A1GAAGFERKDM4ESMN1; SMN2
SCHEMBL3928199 0.80 KDM4E (0.42) ALDH1A1GAAFAAHKDM4ESMN1; SMN2
SCHEMBL3929765 0.80 NPSR1 (0.46) ALDH1A1GAAFAAHKDM4EPOLB
SCHEMBL3939039 0.80 KDM4E (0.41) ALDH1A1GAAFAAHKDM4EPOLB
SCHEMBL14424032 0.77 ACHE (0.53) ALDH1A1GAAGFERTSHRMEN1
SCHEMBL3930964 0.77 ALDH1A1 (0.45) ALDH1A1GAAGFERKDM4ESMN1; SMN2
SCHEMBL8145260 0.77 ALDH1A1 (0.68) ALDH1A1GAAGFERKDM4ESMN1; 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
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