SCHEMBL625559

SCHEMBL625559

O=C1CCOC(=Cc2ccsc2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 6/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 7/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28575414 0.77 ALDH1A1 (0.56) MAOBKDM4EHTTMAPTALDH1A1
SCHEMBL28575415 0.77 ALDH1A1 (0.56) MAOBKDM4EHTTMAPTALDH1A1
SCHEMBL625589 0.74 MAPK1 (0.45) MAOBKDM4EHTTMAPTNPC1
SCHEMBL625784 0.74 KMT2A (0.57) MAOBKDM4ERAB9AALDH1A1MEN1
SCHEMBL27850501 0.71 KMT2A (0.40) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL625104 0.71 DYRK1A (0.60) MAOBHTTMAPTNPC1RAB9A
SCHEMBL625103 0.71 DYRK1A (0.60) MAOBHTTMAPTNPC1RAB9A
SCHEMBL624667 0.70 MAPT (0.53) MAOBKDM4EHTTMAPTNPC1
SCHEMBL28587113 0.67 EGFR (0.50) MAOBMAPTNPC1RAB9AALDH1A1
SCHEMBL28587111 0.67 EGFR (0.50) MAOBMAPTNPC1RAB9AALDH1A1

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-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed