SCHEMBL28072090

SCHEMBL28072090

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
PLIN1 O60240 2/20 0.55
RECQL P46063 2/20 0.55
PLIN5 Q00G26 2/20 0.55
ABHD5 Q8WTS1 2/20 0.55

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
SCHEMBL6575259 0.98 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL733565 0.98 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7705783 0.88 ALDH1A1 (0.71) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL243734 0.88 ALDH1A1 (0.71) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL243733 0.88 ALDH1A1 (0.71) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7062539 0.88 ALDH1A1 (0.71) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4421926 0.86 MAPT (0.75) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL184544 0.86 MAPT (0.75) HDAC3HDAC4HDAC1HDAC2HDAC8
Juarezic Acid SCHEMBL168964 0.85 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL27985873 0.85 STAT3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8

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
CN-105793310-A Polyesters and coatings containing the same PPG工业俄亥俄公司 2016-07-20 CN disclosed