SCHEMBL17536177

SCHEMBL17536177

COc1ccc(/C=C(\C(=O)O)C(C=O)NCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ATM Q13315 2/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL17536178 1.00 MAPT (0.41) MAPTTHRBGSK3BLMNAATM
SCHEMBL28509017 0.76 MAPT (0.46) MAPTTHRBGSK3BLMNAATM
SCHEMBL4879128 0.73 THRB (0.50) MAPTTHRBGSK3BATMAKR1C3
SCHEMBL490213 0.73 THRB (0.50) MAPTTHRBGSK3BATMAKR1C3
SCHEMBL4906426 0.73 THRB (0.50) MAPTTHRBGSK3BATMAKR1C3
SCHEMBL5799213 0.73 MAPT (0.51) MAPTTHRBGSK3BLMNAATM
SCHEMBL16266991 0.72 THRB (0.49) MAPTTHRBGSK3BATMAKR1C3
SCHEMBL8153615 0.71 CYP1A2 (0.52) MAPTTHRBGSK3BATMAKR1C3
SCHEMBL600723 0.70 LMNA (0.52) MAPTTHRBGSK3BLMNAATM
SCHEMBL600722 0.70 LMNA (0.52) MAPTTHRBGSK3BLMNAATM

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-20160060379-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS E INK CORPORATION 2016-03-03 — — US disclosed
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