SCHEMBL3928199

SCHEMBL3928199

COC(=O)Cc1ccc(C#Cc2ccccc2)c(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FAAH O00519 4/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 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
SCHEMBL3927266 0.81 MCL1 (0.49) KDM4EALOX15PKMALDH1A1GAA
SCHEMBL3937537 0.80 ALDH1A1 (0.49) KDM4EALOX15PKMALDH1A1GAA
SCHEMBL25244127 0.76 SMN1; SMN2 (0.53) KDM4EPKMALDH1A1FAAHMEN1
SCHEMBL3939039 0.73 KDM4E (0.41) KDM4EALOX15PKMALDH1A1GAA
SCHEMBL3929765 0.73 NPSR1 (0.46) KDM4EALOX15PKMALDH1A1GAA
SCHEMBL3929130 0.72 TP53 (0.52) KDM4EPKMALDH1A1GAASMN1; SMN2
SCHEMBL14367476 0.70 VEGFA (0.45) —
SCHEMBL3930143 0.67 PTGDR2 (0.65) KDM4EALOX15PKMALDH1A1GAA
SCHEMBL3932024 0.67 VEGFA (0.51) KDM4EALDH1A1GAAFAAHMEN1
SCHEMBL3928362 0.67 CCR5 (0.55) KDM4EALDH1A1MEN1KMT2A

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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