SCHEMBL20514902

SCHEMBL20514902

CC1=C(C)C(=O)C(CCCC(=O)n2cc3ccccc3c2)=C(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTPN1 P18031 2/20 0.34
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
TRAP1 Q12931 1/20 0.33
ALOX15 P16050 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL1659372 0.78 HDAC3 (0.43) HDAC3HDAC1MAPTLMNAALOX15
SCHEMBL1786039 0.73 BLM (0.53) MAPTLMNAALOX15ARALDH1A1
SCHEMBL1658749 0.73 HDAC3 (0.56) HDAC3HDAC1MAPTLMNAALOX15
SCHEMBL1658733 0.72 MAPT (0.65) MAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL1785875 0.71 POLB (0.54) LMNAHTTARALDH1A1KDM4E
SCHEMBL1787253 0.71 ATM (0.47) MAPTTDP1ARALDH1A1L3MBTL1
SCHEMBL1658858 0.71 ATM (0.52) MAPTTDP1ALDH1A1L3MBTL1
SCHEMBL1658199 0.70 HDAC1 (0.69) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1660788 0.70 ALDH1A1 (0.57) MAPTTDP1LMNAMAPK1ALDH1A1
SCHEMBL16067271 0.70 ALOX15 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6

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
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed