SCHEMBL8037875

SCHEMBL8037875

CCC(CC)Oc1ccc(Oc2ccc(CC(=O)Nc3ccccc3C(=O)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK10 P53779 2/20 0.49
TSHR P16473 2/20 0.49
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8039697 0.90 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL8039717 0.89 KMT2A (0.56) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL6340707 0.86 KMT2A (0.61) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL8039718 0.85 ALDH1A1 (0.53) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL8037864 0.83 SMN1; SMN2 (0.58) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL8044170 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL8037895 0.82 ALDH1A1 (0.64) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL6349020 0.82 ALDH1A1 (0.60) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL6337014 0.81 ALDH1A1 (0.66) ALDH1A1KMT2AHSD17B10KDM4EMAPK10
SCHEMBL6337230 0.80 KMT2A (0.53) ALDH1A1KMT2AHSD17B10KDM4EMAPK10

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed