SCHEMBL16740943

SCHEMBL16740943

CC=C(c1cccc(OCc2ccccc2)c1)C(C)CN(C)C.O=C(OC(=O)[C@H](O)[C@@H](O)C(=O)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
NR4A2 P43354 2/20 0.46
KMT2A Q03164 2/20 0.46
SMPD1 P17405 1/20 0.43
SRD5A2 P31213 1/20 0.43
PTPN1 P18031 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GPR132 Q9UNW8 1/20 0.41
MAOA P21397 1/20 0.41
PTGES O14684 1/20 0.40
MEN1 O00255 1/20 0.40
CTSK P43235 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL16740928 0.88 MAOB (0.53) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL16740948 0.88 MAOB (0.53) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL16740955 0.86 MAOB (0.53) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL16740956 0.86 MAOB (0.53) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL16740941 0.86 MAOB (0.48) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL16740942 0.86 MAOB (0.48) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL29447425 0.78 MAOB (0.61) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL669530 0.78 MAOB (0.61) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL669531 0.78 MAOB (0.61) MAOBNR4A2KMT2ASMPD1SRD5A2
SCHEMBL27658160 0.73 ALDH1A1 (0.45) KMT2A

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
WO-2015075678-A1 A NOVEL PROCESS FOR THE PREPARATION OF 1-PHENYL-3-AMINOPROPANE DERIVATIVES UNIMARK REMEDIES LTD. (IN) 2015-05-28 WO disclosed