SCHEMBL8835407

SCHEMBL8835407

CC=CC(=O)NCC(C)Oc1ccc2ccc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 9/20 0.48
CA9 Q16790 7/20 0.48
GLA P06280 3/20 0.48
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOB P27338 1/20 0.47
MTNR1A P48039 1/20 0.46
CA4 P22748 5/20 0.46
CA1 P00915 5/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5A P35218 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8834944 0.84 IGLV6-57 (0.58) KDM4EALDH1A1HPGDHTTGLA
SCHEMBL8834872 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDHTTCA12
SCHEMBL7915718 0.81 CA12 (0.52) KDM4EALDH1A1HPGDHTTCA12
SCHEMBL14802512 0.76 CA12 (0.59) KDM4EALDH1A1HPGDHTTCA12
SCHEMBL14473801 0.76 CA12 (0.63) KDM4EALDH1A1HPGDHTTCA12
SCHEMBL14329509 0.76 CA12 (0.63) KDM4EALDH1A1HPGDHTTCA12
SCHEMBL8368509 0.75 CA12 (0.68) KDM4EALDH1A1HPGDCA12CA9
SCHEMBL14329526 0.74 CA12 (0.61) KDM4EALDH1A1HPGDHTTCA12
SCHEMBL14802612 0.74 CA12 (0.56) KDM4EALDH1A1HPGDHTTCA12
7-Isopropoxycoumarin SCHEMBL14329508 0.73 KDM4E (0.69) KDM4EALDH1A1HPGDHTTCA12

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