SCHEMBL2167897

SCHEMBL2167897

CC(C)(C)N(CCC(O)c1cccc(NCCCc2ccccc2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRK1 P41145 2/20 0.40
BACE1 P56817 3/20 0.40
POLB P06746 1/20 0.39
CNR1 P21554 1/20 0.39
EPHX2 P34913 4/20 0.38
KDM4A O75164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASR P41180 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
SCHEMBL2167223 0.86 ADRB2 (0.43) HTTL3MBTL1BACE1SMN1; SMN2
SCHEMBL15576272 0.80 LMNA (0.47) LMNAOPRM1OPRL1KMT2AL3MBTL1
SCHEMBL2778629 0.79 LMNA (0.47) LMNAOPRM1OPRL1KMT2AMEN1
SCHEMBL2151341 0.78 LMNA (0.44) LMNAKMT2AMEN1HTTL3MBTL1
SCHEMBL5069200 0.77 RIPK1 (0.53) LMNAKMT2AMEN1HTTL3MBTL1
SCHEMBL5065804 0.77 RIPK1 (0.53) LMNAKMT2AMEN1HTTL3MBTL1
SCHEMBL1529441 0.77 RIPK1 (0.53) LMNAKMT2AMEN1HTTL3MBTL1
SCHEMBL27821339 0.75 LMNA (0.46) LMNAKMT2AMEN1HTTL3MBTL1
SCHEMBL5069163 0.74 ADRB3 (0.41) KMT2AMEN1
SCHEMBL2151117 0.73 LMNA (0.50) LMNAOPRM1OPRL1KMT2AMEN1

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-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed