SCHEMBL18217366

SCHEMBL18217366

Nc1ccc(OCCOCOCCOc2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.58
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
NFE2L2 Q16236 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 2/20 0.45
GAA P10253 1/20 0.45
MAOA P21397 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP3A4 P08684 1/20 0.44
PRSS1 P07477 1/20 0.42
NCF1 P14598 3/20 0.42

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
SCHEMBL1353069 0.91 APP (0.67) APPTDP1TSHRRAB9ANPC1
SCHEMBL7911522 0.91 APP (0.67) APPTDP1TSHRRAB9ANPC1
SCHEMBL5930961 0.91 APP (0.67) APPTDP1TSHRRAB9ANPC1
SCHEMBL15071342 0.91 APP (0.67) APPTDP1TSHRRAB9ANPC1
SCHEMBL15814832 0.90 APP (0.50) APPTDP1TSHRRAB9ANPC1
SCHEMBL3482694 0.88 TDP1 (0.64) APPTDP1TSHRRAB9ANPC1
SCHEMBL9784265 0.88 TDP1 (0.64) APPTDP1TSHRRAB9ANPC1
Ammonia Solution, Strong SCHEMBL9850170 0.85 TDP1 (0.61) APPTDP1TSHRRAB9ANPC1
SCHEMBL22109518 0.84 TDP1 (0.61) APPTDP1TSHRRAB9ANPC1
SCHEMBL21098621 0.83 RAB9A (0.63) APPTDP1TSHRRAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162987-A1 DEGRADABLE POLYURETHANES AND COMPOSITES THEREOF ADESSO ADVANCED MATERIALS WUHU CO., LTD. (CN) 2018-06-14 US disclosed
US-20180162987-A1 DEGRADABLE POLYURETHANES AND COMPOSITES THEREOF ADESSO ADVANCED MATERIALS WUHU CO., LTD. (CN) 2018-06-14 US disclosed
WO-2016177307-A1 DEGRADABLE POLYURETHANES AND COMPOSITES THEREOF ADESSO ADVANCED MATERIALS WUXI CO., LTD. (CN) 2016-11-10 WO disclosed