SCHEMBL10291328

SCHEMBL10291328

CCOOC/C=C/COC(C(=O)OCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.43
PIN1 Q13526 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL10257329 0.89 MMP8 (0.46) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL10290781 0.86 MAPT (0.40) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL511600 0.83 MAPT (0.50) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL511601 0.83 MAPT (0.50) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL27652260 0.80 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL17653672 0.80 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL16672673 0.80 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL16672581 0.79 MMP8 (0.50) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL10291182 0.79 MMP8 (0.44) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL28001950 0.78 MMP8 (0.49) MMP8PIN1SMN1; SMN2MEN1KMT2A

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
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed