SCHEMBL11604202

SCHEMBL11604202

OC(COc1ccc(Nc2ccccc2)cc1)CSCCSCC(O)COc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
CDK4 P11802 6/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PLA2G4B P0C869 1/20 0.47
CDK2 P24941 4/20 0.46
CYP2D6 P10635 2/20 0.46
BACE1 P56817 2/20 0.44
ADRB2 P07550 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL11657351 0.94 MAPT (0.58) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11604613 0.92 MAPT (0.50) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11603098 0.90 PLA2G4B (0.62) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11608439 0.87 ADRB1 (0.52) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11609274 0.87 PLA2G4B (0.60) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11604605 0.87 MAPT (0.52) MAPTHTTADRB3CDK4KMT2A
SCHEMBL11608113 0.87 CDK4 (0.51) MAPTHTTSMN1; SMN2CDK4KMT2A
SCHEMBL2721052 0.86 MAPT (0.67) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11605988 0.84 MAPT (0.65) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11608425 0.84 BACE1 (0.59) MAPTHTTSMN1; SMN2ADRB1ADRB3

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
US-4072654-A FOR DIENE-POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-02-07 US claimed
US-4072654-A FOR DIENE-POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-02-07 US disclosed