SCHEMBL8834871

SCHEMBL8834871

CC=CC(=O)OCCOc1ccc2c(CCC)cc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
ALDH1A1 P00352 10/20 0.59
HPGD P15428 8/20 0.59
KMT2A Q03164 6/20 0.59
PKM P14618 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 3/20 0.58
HSP90AA1 P07900 1/20 0.58
POLB P06746 3/20 0.57
HSD17B10 Q99714 3/20 0.54
GAA P10253 3/20 0.54
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2D6 P10635 1/20 0.53
HSD17B3 P37058 1/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8835021 0.86 KMT2A (0.60) KDM4EALDH1A1HPGDKMT2ATDP1
SCHEMBL8834943 0.82 AGER (0.61) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL7907510 0.82 ALDH1A1 (0.66) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL8835114 0.81 ALDH1A1 (0.65) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL11946745 0.81 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL8835418 0.81 MAOB (0.60) KDM4EALDH1A1HPGDKMT2ATDP1
SCHEMBL8834965 0.81 MAOB (0.58) KDM4EALDH1A1HPGDKMT2ATDP1
SCHEMBL8835331 0.80 CA12 (0.60) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL11946746 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL13779255 0.78 KDM4E (0.73) KDM4EALDH1A1HPGDKMT2APKM

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