SCHEMBL7917181

SCHEMBL7917181

C=C(C)C(=O)OCC(C)Oc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 7/20 0.60
HPGD P15428 6/20 0.60
HSD17B10 Q99714 5/20 0.60
IGLV6-57 P01721 5/20 0.60
ALDH2 P05091 1/20 0.60
AR P10275 3/20 0.57
HTT P42858 2/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GLA P06280 2/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 3/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7907384 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10IGLV6-57
SCHEMBL7920907 0.83 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL13726250 0.83 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10IGLV6-57
SCHEMBL29408446 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10ALDH2
SCHEMBL7920778 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10ALDH2
SCHEMBL8835650 0.81 IGLV6-57 (0.59) ALDH1A1KDM4EHPGDHSD17B10IGLV6-57
SCHEMBL8835399 0.81 IGLV6-57 (0.59) ALDH1A1KDM4EHPGDHSD17B10IGLV6-57
SCHEMBL7907377 0.81 IGLV6-57 (0.59) ALDH1A1KDM4EHPGDHSD17B10IGLV6-57
SCHEMBL7914328 0.81 MAOB (0.61) ALDH1A1KDM4EHPGDHSD17B10ALDH2
SCHEMBL7914330 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201087-B1 POLYMERS WHICH CONTAIN COUMARIN OR QUINOLINONE DERIVATIVES AS PHOTOREACTIVE UNITS AS ORIENTING LAYERS FOR LIQUID CRYSTALS; PHOTOCHEMICAL STABILITY AND IMPROVED CONTRAST ROLIC AG (CH) 2001-03-13 US disclosed
EP-0783537-B1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS ROLIC AG (CH) 1999-12-01 EP disclosed
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