SCHEMBL9608844

SCHEMBL9608844

CNCCc1ccc2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.52
HTT P42858 4/20 0.52
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 7/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL19043607 0.90 LMNA (0.47) LMNAHTTALDH1A1THRBMAPT
Homarylamine SCHEMBL1237889 0.89 TAAR1 (0.61) LMNAALDH1A1POLBMAPK1TSHR
Homarylamine SCHEMBL29412731 0.89 TAAR1 (0.61) LMNAALDH1A1POLBMAPK1TSHR
SCHEMBL1253621 0.81 ALDH1A1 (0.51) LMNAALDH1A1TSHRSMN1; SMN2TAAR1
SCHEMBL9426372 0.81 POLB (0.46) LMNAALDH1A1MAPTNPC1POLB
SCHEMBL13853578 0.80 LMNA (0.61) LMNAHTTALDH1A1THRBMAPT
SCHEMBL8255914 0.79 TAAR1 (0.52) LMNAHTTALDH1A1THRBMAPT
SCHEMBL2471267 0.79 TAAR1 (0.57) LMNAALDH1A1POLBTAAR1KDM4E
SCHEMBL15384437 0.79 LMNA (0.64) LMNAHTTALDH1A1THRBMAPT
SCHEMBL30928242 0.78 HDAC1 (0.56) LMNAALDH1A1TAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011778-A1 SMALL MOLECULE INHIBITORS OF KU70/80 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-01-21 WO disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO disclosed
WO-2010075469-A1 CORYDALINE DERIVATIVES USEFUL FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2010-07-01 WO disclosed
US-5120759-A TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY HOFFMANN-LA ROCHE INC. (US) 1992-06-09 US disclosed