SCHEMBL8834945

SCHEMBL8834945

CC=CC(=O)OCCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.54
ACHE P22303 7/20 0.54
MAOB P27338 6/20 0.53
MAOA P21397 4/20 0.53
BCHE P06276 2/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50

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
SCHEMBL8835418 0.84 MAOB (0.60) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL8834965 0.82 MAOB (0.58) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL7907365 0.81 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ACYP1A2
SCHEMBL7917176 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ACYP1A2
SCHEMBL8834803 0.80 AGER (0.59) KDM4EALDH1A1HPGDMAOBMEN1
SCHEMBL26907727 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDRAB9ACYP1A2
SCHEMBL8835032 0.80 CA12 (0.61) KDM4EALDH1A1CYP1A2MAOBMAOA
SCHEMBL8835021 0.79 KMT2A (0.60) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL8834993 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9AHSD17B10
Hydrochloric Acid SCHEMBL9211944 0.76 ACHE (0.63) KDM4EALDH1A1HPGDRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed