SCHEMBL29936951

SCHEMBL29936951

COc1ccc(C(C(=O)F)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
PLK1 P53350 1/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 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
SCHEMBL29035981 0.82 MAPT (0.47) MAPTCES2CES1ALOX15ALDH1A1
SCHEMBL1507665 0.81 CA1 (0.54) MAPTCES2CES1ALOX15ALDH1A1
SCHEMBL6045338 0.76 KCNN4 (0.55) MAPTCES2CES1ALDH1A1CA1
SCHEMBL2316036 0.75 KCNN4 (0.53) MAPTCES2CES1ALDH1A1CA1
SCHEMBL17420611 0.73 CA1 (0.50) MAPTCES2CES1ALOX15ALDH1A1
SCHEMBL28277045 0.72 MAPT (0.55) MAPTCES2CES1ALOX15ALDH1A1
SCHEMBL30087732 0.72 CA1 (0.52) MAPTCES2CES1ALOX15ALDH1A1
SCHEMBL28637684 0.72 MAPT (0.46) MAPTCES2CES1ALOX15ALDH1A1
SCHEMBL21501142 0.72 CA1 (0.48) MAPTCES2CES1ALOX15ALDH1A1
SCHEMBL28302793 0.72 MAPT (0.50) MAPTCES2CES1ALOX15ALDH1A1

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
CN-115093527-B Two-dimensional covalent organic framework compound with interlayer ABC staggered stacking structure and preparation method and application thereof 浙江工业大学 2023-05-23 CN disclosed
CN-115093527-A Two-dimensional covalent organic framework compound with interlayer ABC staggered accumulation structure and preparation method and application thereof 浙江工业大学 2022-09-23 CN disclosed