SCHEMBL17189141

SCHEMBL17189141

CCc1c(C=O)ccc2c1OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ERN1 O75460 2/20 0.37
ATM Q13315 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MTNR1A P48039 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
AOC3 Q16853 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL9786092 0.86 AOC3 (0.47) KDM4EERN1HSP90AA1ALDH1A1MEN1
SCHEMBL3273390 0.78 KCNJ1 (0.45) KDM4EERN1MTNR1AALDH1A1MEN1
SCHEMBL6851211 0.76 TDP1 (0.41) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL19380526 0.75 KDM4E (0.49) KDM4EATMMTNR1AALDH1A1MEN1
SCHEMBL1494402 0.75 LMNA (0.36) ALDH1A1MEN1LMNAKMT2AHPGD
SCHEMBL77894 0.75 KDM4E (0.44) KDM4EATMMTNR1AALDH1A1LMNA
SCHEMBL3216500 0.74 KDM4E (0.40) KDM4EERN1ALDH1A1MEN1LMNA
SCHEMBL21262188 0.74 ERN1 (0.44) KDM4EERN1MTNR1AALDH1A1HPGD
SCHEMBL17397861 0.74 KDM4E (0.40) KDM4EERN1MTNR1AALDH1A1MEN1
SCHEMBL6851157 0.74 TDP1 (0.46) KDM4EERN1ALDH1A1MEN1LMNA

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-1744619-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2015-10-21 EP disclosed