SCHEMBL8894563

SCHEMBL8894563

[CH2]C(=O)OCCNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
RECQL P46063 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.38
EPHX2 P34913 1/20 0.38
CDK9 P50750 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11212433 0.85 MAPT (0.50) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL8894146 0.82 MAPT (0.44) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL5950512 0.81 KDM4E (0.52) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL15577833 0.81 LMNA (0.51) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL988048 0.81 THRB (0.57) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL1066414 0.80 KDM4E (0.51) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL11674113 0.80 NPSR1 (0.67) ALDH1A1NPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL11674769 0.80 ALDH1A1 (0.45) MAPTALDH1A1NPSR1L3MBTL1SMN1; SMN2
SCHEMBL12088129 0.80 TDP1 (0.61) MAPTALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL16039243 0.80 HCAR2 (0.51) MAPTALDH1A1NPSR1L3MBTL1MEN1

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
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed