SCHEMBL28053808

SCHEMBL28053808

O=CC(CCC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 3/20 0.48
NR4A2 P43354 1/20 0.48
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL28053810 0.90 TDP1 (0.55) MAPTL3MBTL1TDP1LMNANR4A2
SCHEMBL30937427 0.84 CYP2D6 (0.46) NR4A2ALDH1A1HDAC1HDAC8CYP2C19
SCHEMBL436598 0.82 TSHR (0.53) MAPTL3MBTL1TDP1LMNAALDH1A1
SCHEMBL21396941 0.80 TDP1 (0.57) MAPTL3MBTL1TDP1LMNANR4A2
SCHEMBL28053814 0.79 CYP2D6 (0.42) L3MBTL1LMNAALDH1A1CYP2C19MAPK1
SCHEMBL23069585 0.77 L3MBTL1 (0.50) MAPTL3MBTL1TDP1LMNANR4A2
SCHEMBL8273072 0.77 KMT2A (0.47) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL28053817 0.77 NR4A2 (0.50) MAPTL3MBTL1TDP1LMNANR4A2
SCHEMBL3079690 0.77 TDP1 (0.53) MAPTL3MBTL1TDP1LMNANR4A2
SCHEMBL18730288 0.76 HPGD (0.40) MAPTL3MBTL1LMNAALDH1A1GAA

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-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed