SCHEMBL21784939

SCHEMBL21784939

CCOC(OCC)(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CA1 P00915 5/20 0.49
▸ CA2 P00918 5/20 0.49
▸ MAPT P10636 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45

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
SCHEMBL9474908 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15LMNAAPEX1MAPK1
SCHEMBL10299605 0.84 ALOX15 (0.48) ALDH1A1ALOX15LMNAAPEX1MAPK1
SCHEMBL21784946 0.83 NPC1 (0.45) ALDH1A1LMNATDP1CA2MAPT
SCHEMBL10299600 0.83 CES1 (0.62) ALDH1A1ALOX15LMNAAPEX1MAPK1
SCHEMBL22309044 0.82 CES1 (0.41) CA1CA2CES1PLK1GSK3B
SCHEMBL9476928 0.81 ALDH1A1 (0.48) ALDH1A1ALOX15LMNAAPEX1MAPK1
SCHEMBL27662024 0.80 USP2 (0.49) ALDH1A1LMNAMAPTCES2CES1
SCHEMBL11491006 0.80 CES1 (0.51) ALDH1A1ALOX15LMNAMAPK1RECQL
SCHEMBL16863941 0.80 ELANE (0.50) APEX1RECQLTDP1MAPTCES1
SCHEMBL11482921 0.79 CES1 (0.50) ALDH1A1LMNAMAPK1MAPTCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 — — US disclosed
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