SCHEMBL8053440

SCHEMBL8053440

CN(C)c1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
HDAC4 P56524 4/20 0.55
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
TNKS O95271 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEF2D Q14814 1/20 0.52
MAPT P10636 4/20 0.51

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
SCHEMBL1423958 1.00 NPSR1 (0.57) NPSR1HDAC4HDAC3HDAC1HDAC7
SCHEMBL10717371 0.88 HSD17B3 (0.62) NPSR1HDAC4HDAC3HDAC1HDAC7
SCHEMBL7317275 0.86 TDP1 (0.56) NPSR1HDAC4HDAC3HDAC1HDAC7
SCHEMBL7317282 0.86 TDP1 (0.56) NPSR1HDAC4HDAC3HDAC1HDAC7
SCHEMBL12425722 0.82 HDAC4 (0.69) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL69146 0.81 NPSR1 (0.74) NPSR1HDAC4HDAC3HDAC1HDAC7
SCHEMBL271386 0.81 NPSR1 (0.74) NPSR1HDAC4HDAC3HDAC1HDAC7
SCHEMBL14619147 0.80 CYP3A4 (0.53) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL782211 0.80 HDAC4 (0.47) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL782212 0.80 HDAC4 (0.47) HDAC4HDAC3HDAC1HDAC7HDAC2

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-116687903-A Application of cinnamic acid compound prepared from cinnamon active ingredient in preparation of product for inhibiting tyrosinase activity 五邑大学 2023-09-05 CN disclosed
US-6143762-A DRUGS AS DOPAMINE ANTAGONIST PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, PLC (GB) 2000-11-07 US disclosed