SCHEMBL8618808

SCHEMBL8618808

Cc1ncoc1C(C)(O)c1cccs1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.31
RGS12 O14924 1/20 0.30
ICMT O60725 1/20 0.30
CHRM3 P20309 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL5731973 0.74 CNR1 (0.41) ALDH1A1CNR1CNR2LMNATSHR
SCHEMBL8614900 0.73 KDM4E (0.30) KDM4E
SCHEMBL8616899 0.72 CNR1 (0.33) CNR1CNR2ESR1CHRM3KDM4E
SCHEMBL8618867 0.72 MAPT (0.41) MAPT
Hydrochloric Acid SCHEMBL8618715 0.71 CNR1 (0.33) CNR1CNR2ESR1CHRM3KDM4E
SCHEMBL8615796 0.68 HSPA5 (0.34) CNR1CNR2CHRM3
SCHEMBL8614482 0.68 KDM4E (0.36) ALDH1A1CNR1CNR2ESR1KDM4E
SCHEMBL8688002 0.68 CASR (0.45) ALDH1A1LMNATSHRHSD17B10MAPT
SCHEMBL14777822 0.66
SCHEMBL12006685 0.66 CNR1 (0.41) ALDH1A1CNR1CNR2LMNATSHR

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-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed