SCHEMBL7112756

SCHEMBL7112756

C=CCOc1ccc(N)cc1OCC=C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
GAA P10253 4/20 0.52
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2D6 P10635 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL23757425 0.89 KDM4E (0.64) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL30144759 0.89 GAA (0.54) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL23757590 0.89 GAA (0.54) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL28076075 0.86 GAA (0.55) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL5665856 0.86 ALDH1A1 (0.41) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL3548617 0.84 ALDH1A1 (0.39) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL7258665 0.84 ALDH1A1 (0.42) ALDH1A1GAAKDM4ETSHRHPGD
SCHEMBL11659885 0.82 ALDH1A1 (0.43) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL25403106 0.82 HPGD (0.43) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL9781407 0.82 SYK (0.50) ALDH1A1GAATSHRHPGDHTR2A

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-1054049-B1 Optical compensators CHISSO CORP (JP) 2003-04-02 EP disclosed
EP-1054049-A1 Optical compensators CHISSO CORPORATION (JP) 2000-11-22 EP disclosed