SCHEMBL16149869

SCHEMBL16149869

O=C(O)NCCC(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SPHK2 Q9NRA0 3/20 0.50
SPHK1 Q9NYA1 1/20 0.50
NR4A2 P43354 1/20 0.50
SMPD1 P17405 1/20 0.49
ALOX5 P09917 1/20 0.48
MEN1 O00255 1/20 0.48
MAOB P27338 1/20 0.48
SGMS2 Q8NHU3 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL16031154 0.91 CYP27B1 (0.49) KMT2ASMN1; SMN2SPHK2SPHK1
SCHEMBL16032640 0.88 GPR132 (0.56)
SCHEMBL3963466 0.88 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2
SCHEMBL16030861 0.87 GPR132 (0.43) KMT2ASMN1; SMN2ALOX5
SCHEMBL15232863 0.87 KMT2A (0.57) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL16031455 0.85 KMT2A (0.48) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL16031452 0.85 KMT2A (0.48) KMT2ASMN1; SMN2SPHK2SPHK1NR4A2
SCHEMBL16031784 0.85 GPR132 (0.48) KMT2ASMN1; SMN2ALOX5MEN1
SCHEMBL29818763 0.83 KMT2A (0.58) KMT2ASMN1; SMN2NR4A2MEN1MAOB
SCHEMBL2207119 0.83 KMT2A (0.58) KMT2ASMN1; SMN2NR4A2MEN1MAOB

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-2970099-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2016-01-20 EP disclosed
WO-2014164905-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-09 WO disclosed