SCHEMBL8726552

SCHEMBL8726552

Cn1c(/C=C/C(=O)O)ccc1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 4/20 0.64
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
TBXAS1 P24557 1/20 0.39
CXCL8 P10145 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL8726556 1.00 HDAC10 (0.64) HDAC10HDAC3HDAC4HDAC1HDAC7
SCHEMBL8729572 0.77 CDC25B (0.51) HDAC10MAPTSMN1; SMN2SRD5A2CDC25B
SCHEMBL10939182 0.75 EGFR (0.48) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL8729574 0.72 HDAC10 (0.41) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL8458233 0.71 MAPT (0.46) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL8458232 0.71 PTGS1 (0.74) HDAC10MAPTSMN1; SMN2CDC25BATM
SCHEMBL8729395 0.69 CXCL8 (0.55) SMN1; SMN2CXCL8AKR1B1PTGS1PTGS2
SCHEMBL23881352 0.69 TBXAS1 (0.48) HDAC10HDAC3HDAC4HDAC1HDAC7
SCHEMBL8733797 0.68 CXCL8 (0.52) HDAC10HDAC3HDAC4HDAC1HDAC7
SCHEMBL24248567 0.67 TBXAS1 (0.47) HDAC10HDAC3HDAC4HDAC1HDAC7

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
EP-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 EP claimed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP claimed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 WO claimed