SCHEMBL8635302

SCHEMBL8635302

COc1cccc(OC)c1C(O)c1scnc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
AGTR1 P30556 1/20 0.33
CYP1A2 P05177 1/20 0.33
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.33
FGB P02675 1/20 0.33
TNNI3 P19429 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33

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
SCHEMBL8629520 0.85 ACHE (0.44) ALDH1A1LMNAMAPTAGTR1CYP1A2
SCHEMBL8683323 0.76 KDM4E (0.43) ALDH1A1LMNAKDM4ECYP1A2MEN1
SCHEMBL8629437 0.75 BRD4 (0.45) MAPK1ACHEMEN1KMT2ACTSA
SCHEMBL7122164 0.74 CA1 (0.50) ALDH1A1LMNAMAPTALOX15MAPK1
SCHEMBL2593085 0.72 SLC6A3 (0.44) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL9025658 0.71 IDO1 (0.38) LMNAMAPTKDM4EACHEP2RX7
SCHEMBL8633347 0.70 TSHR (0.44) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL9026742 0.70 ATM (0.38) KDM4EKMT2AP2RX7
SCHEMBL8629570 0.70 GAA (0.44) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL8630297 0.70 PFKFB3 (0.38) ALDH1A1KDM4ECYP3A4CASP1P2RX7

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