SCHEMBL20514880

SCHEMBL20514880

CC1=C(C)C(O)C(CCNS(C)(=O)=O)=C(C)C1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.35
NQO2 P16083 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIA4 P48058 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL20514910 0.73 KDM4E (0.44) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL20514856 0.69 SMN1; SMN2 (0.36) ALDH1A1ALOX15MAPT
SCHEMBL660035 0.64 ALDH1A1 (0.68) ALDH1A1ALOX15POLBRECQLMAPT
SCHEMBL3043384 0.63 POLB (0.44) ALDH1A1ALOX15POLBNQO2RECQL
SCHEMBL5991959 0.62 GRIA4 (0.63) ALDH1A1ALOX15POLBNQO2RECQL
SCHEMBL15247029 0.61 ALDH1A1 (0.53) ALDH1A1POLBMAPTGRIA4KMT2A
SCHEMBL1784068 0.60 MAPT (0.39) ALDH1A1ALOX15POLBNQO2RECQL
SCHEMBL48208 0.60
SCHEMBL1267234 0.59 MEN1 (0.57) ALDH1A1POLBGRIA4KMT2AMEN1
SCHEMBL4887431 0.59 CA1 (0.58) ALDH1A1ALOX15POLBNQO2RECQL

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