SCHEMBL12460720

SCHEMBL12460720

COc1cc(C#N)ccc1OCCCN

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
ICMT O60725 2/20 0.48
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
FDPS P14324 3/20 0.46
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
PRSS1 P07477 4/20 0.44
MPO P05164 1/20 0.43
SLC6A4 P31645 1/20 0.42
KDM1A O60341 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
SCHEMBL5531819 0.89 AR (0.54) ARICMTPPARDPPARAFDPS
SCHEMBL2163665 0.86 AR (0.55) ARICMTPPARDPPARAFDPS
SCHEMBL458608 0.86 AR (0.51) ARICMTPPARDPPARAFDPS
SCHEMBL457823 0.84 AR (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL1545129 0.84 AR (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL12460717 0.84 AR (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL5648357 0.84 ICMT (0.53) ARICMTPPARDPPARAFDPS
SCHEMBL523551 0.84 MPO (0.54) ARICMTPPARDPPARAFDPS
SCHEMBL7996217 0.83 ALDH1A1 (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL5841842 0.83 AR (0.49) ARICMTPPARDPPARAFDPS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed