SCHEMBL8549538

SCHEMBL8549538

C=CC(=O)NCCC/C(=C\c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL8549459 0.86 PYGL (0.52) TGM2PYGL
SCHEMBL8551267 0.85 ZDHHC20 (0.42) TGM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8549680 0.81 TEAD1 (0.40) GRIK1TGM2HDAC3HDAC4HDAC1
SCHEMBL8547481 0.78 TGM2 (0.43) MAPTTGM2HDAC3HDAC4HDAC1
SCHEMBL8551077 0.78 RAB9A (0.37) GRIK1MAPTNLRP3TGM2TAAR1
SCHEMBL8551807 0.78 TGM2 (0.43) MAPTTGM2MEN1KMT2AALDH1A1
SCHEMBL8550400 0.78 TGM2 (0.38) TGM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9408933 0.78 PYGL (0.50) ALDH1A1PYGL
SCHEMBL8549387 0.78 DPEP1 (0.42) GRIK1MEN1KMT2APYGL
SCHEMBL8552907 0.77 ALDH1A1 (0.47) CYP1A2NLRP3TGM2CYP2C9CYP2C19

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-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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