SCHEMBL3843393

SCHEMBL3843393

O=C(O)NCCCc1cccc(C#CC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.53
FFAR1 O14842 2/20 0.45
EPHX1 P07099 1/20 0.41
EPHX2 P34913 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL3859067 0.95 PTGES (0.51) PTGESFFAR1EPHX1EPHX2FFAR4
SCHEMBL3843278 0.84 PTGES (0.54) PTGESFFAR1EPHX1EPHX2L3MBTL1
SCHEMBL612635 0.83 PTGES (0.47) PTGESMTNR1AMTNR1B
SCHEMBL10279958 0.81 PTGES (0.45) PTGESFFAR1EPHX1EPHX2FFAR4
SCHEMBL3860260 0.80 PTGES (0.46) PTGES
SCHEMBL232874 0.79 PTGES (0.46) PTGESFFAR1EPHX1FFAR4MTNR1A
SCHEMBL13908245 0.79 PTGES (0.47) PTGESFFAR1FFAR4MTNR1AMTNR1B
SCHEMBL611662 0.79 FFAR1 (0.49) PTGESFFAR1EPHX1EPHX2L3MBTL1
SCHEMBL237780 0.78 PTGES (0.45) PTGESFFAR1EPHX1EPHX2FFAR4
SCHEMBL3863964 0.78 PTGES (0.48) PTGESKDM4EPOLBMTNR1AMTNR1B

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-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed