SCHEMBL8632301

SCHEMBL8632301

Cc1ccccc1C(O)c1ocnc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ESR1 P03372 1/20 0.36
GLA P06280 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ELANE P08246 1/20 0.33
ACP3 P15309 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BRD4 O60885 1/20 0.30
CHEK2 O96017 1/20 0.30

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
SCHEMBL8629576 0.84 BRD4 (0.44) GLAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8634802 0.84 ALDH1A1 (0.38) GLAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8632971 0.81 NOTUM (0.38) GAAGLAMAPTSMN1; SMN2ACP3
SCHEMBL8634779 0.75 KMT2A (0.38) GLAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL598722 0.73 GAA (0.57) GAAESR1ALDH1A1MAPTIDO1
SCHEMBL8633722 0.72 BRD4 (0.41) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL8630595 0.72 CES2 (0.38) GAABRD4
SCHEMBL8634032 0.71 IMPDH2 (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2IDO1
SCHEMBL8981642 0.70 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2IDO1
SCHEMBL8636185 0.70 BRD4 (0.43) ALDH1A1MAPTMAPK1SMN1; SMN2BRD4

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-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed