SCHEMBL3860293

SCHEMBL3860293

CCCC(C#Cc1cccc(CCCNC)c1)CCCO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES O14684 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
S1PR1 P21453 4/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
TAAR1 Q96RJ0 3/20 0.33
S1PR3 Q99500 1/20 0.32

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
SCHEMBL237362 0.78 TAAR1 (0.35) PTGESTAAR1
SCHEMBL3887468 0.75 CYP3A4 (0.38)
SCHEMBL235866 0.71 MEN1 (0.41) MEN1KMT2APTGESL3MBTL1NOS3
SCHEMBL3861310 0.71
SCHEMBL3860502 0.71
SCHEMBL3863933 0.71 PTGDR2 (0.39)
SCHEMBL3953413 0.70 MTNR1A (0.50) PTGES
SCHEMBL12500260 0.69 MEN1 (0.53) MEN1KMT2AL3MBTL1NOS3NOS1
SCHEMBL3861127 0.69 PTGES (0.36) PTGESSIGMAR1
SCHEMBL236635 0.69 PTGES (0.33) PTGES

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-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed