SCHEMBL27697646

SCHEMBL27697646

[CH2]CN1C(=O)CCCN1CCC(O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.66
PTGER2 P43116 13/20 0.66
PTGER3 P43115 3/20 0.47
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
SCHEMBL27697785 0.93 PTGER4 (0.67) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL27856603 0.85 PTGER4 (0.64) PTGER4PTGER2GAA
SCHEMBL4085414 0.84 PTGER4 (0.92) PTGER4PTGER2PTGER3
SCHEMBL4077758 0.84 PTGER4 (0.64) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL4077394 0.84 PTGER4 (0.66) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL27718120 0.84 PTGER4 (0.58) PTGER4PTGER2PTGER3KMT2A
SCHEMBL27873338 0.84 PTGER4 (0.68) PTGER4PTGER2PTGER3
SCHEMBL4077760 0.83 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL4081976 0.83 PTGER4 (0.72) PTGER4PTGER2PTGER3
SCHEMBL4087462 0.83 PTGER4 (0.69) PTGER4PTGER2PTGER3

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
CN-101133037-B Six-membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORP 2012-05-09 CN disclosed
CN-101133037-A Six-membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORP (JP) 2008-02-27 CN disclosed