SCHEMBL28309358

SCHEMBL28309358

CC(Nc1cc(=O)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.52
ALDH1A1 P00352 7/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IGF1R P08069 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL4285209 0.78 MAPT (0.52) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL1716641 0.78 MAPT (0.52) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL30425093 0.75 CYP1A2 (0.46) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL1253014 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL27135550 0.73 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29170463 0.72 CYP1A2 (0.56) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL27028793 0.71 DHPS (0.49) KDM4ETP53CYP1A2KMT2AMEN1
SCHEMBL26334263 0.70 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL23610830 0.69 BCL6 (0.54) KDM4EALDH1A1HPGDLMNA
SCHEMBL23610831 0.69 BCL6 (0.54) KDM4EALDH1A1HPGDLMNA

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-110072883-A The relevant peptide of therapeutic MOTS-C 科巴公司 2019-07-30 CN disclosed