SCHEMBL3939039

SCHEMBL3939039

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ PKM P14618 1/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL3939019 0.90 GLS (0.43) KDM4EALDH1A1PKMMGLL
SCHEMBL3939320 0.88 CYP1A2 (0.39) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3937537 0.80 ALDH1A1 (0.49) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3929765 0.78 NPSR1 (0.46) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL3927266 0.76 MCL1 (0.49) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL4842048 0.76 CA5A (0.58) KDM4EALDH1A1KMT2ANPC1GAA
SCHEMBL2127345 0.76 CYP4F2 (0.43) ALDH1A1PKMNPC1GAALMNA
SCHEMBL5738807 0.76 CA5A (0.51) KDM4EALDH1A1KMT2ANPC1GAA
SCHEMBL2126108 0.76 CYP4F2 (0.43) ALDH1A1PKMNPC1GAA
SCHEMBL30154424 0.76 CYP4F2 (0.43) ALDH1A1PKMNPC1GAA

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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