SCHEMBL8835650

SCHEMBL8835650

C[CH][CH]C(=O)OCC(C)Oc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 5/20 0.59
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 8/20 0.59
HPGD P15428 5/20 0.59
HSD17B10 Q99714 4/20 0.59
ALDH2 P05091 1/20 0.58
AR P10275 3/20 0.56
HTT P42858 2/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8835399 0.89 IGLV6-57 (0.59) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7907384 0.88 ALDH1A1 (0.60) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7917181 0.81 ALDH1A1 (0.60) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22501552 0.79 KDM4E (0.74) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20537229 0.76 KDM4E (0.78) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14176760 0.76 KDM4E (1.00) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31281633 0.76 KDM4E (1.00) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8834944 0.75 IGLV6-57 (0.58) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22501672 0.75 IGLV6-57 (1.00) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27788739 0.74 ALDH1A1 (0.77) IGLV6-57ALDH1A1KDM4EHPGDHSD17B10

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