SCHEMBL8862864

SCHEMBL8862864

C=C(Cl)C(=CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.44
MCL1 Q07820 1/20 0.44
MAOB P27338 3/20 0.43
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TRPA1 O75762 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL1614744 0.85 MAOB (0.54) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL1614745 0.85 MAOB (0.54) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL4452592 0.82 MAOB (0.50) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL4452595 0.82 MAOB (0.50) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL11050802 0.79 GRIK1 (0.44) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL11050801 0.79 GRIK1 (0.44) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL11038794 0.79 GLA (0.50) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL11038792 0.79 GLA (0.50) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL10620497 0.75 LMNA (0.60) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL10944462 0.74 GLA (0.53) GRIK1MCL1MAOBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627004-A Processes for producing negatively charged toner XEROX CORPORATION (US) 1997-05-06 US claimed
US-5627004-A Processes for producing negatively charged toner XEROX CORPORATION (US) 1997-05-06 US disclosed
US-5627004-A Processes for producing negatively charged toner XEROX CORPORATION (US) 1997-05-06 US disclosed