SCHEMBL11075156

SCHEMBL11075156

C=CC(C)c1cc2c(C)cc(=O)oc2c(C(C)=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
GAA P10253 4/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 6/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MCL1 Q07820 2/20 0.41
MGAM O43451 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
SI P14410 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HSD17B10 Q99714 2/20 0.41
UBE2N P61088 1/20 0.41
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL11076862 0.81 KDM4E (0.51) KDM4EGAAGLAMAPTLMNA
SCHEMBL11075037 0.80 KDM4E (0.42) KDM4EGAAGLAMAPTLMNA
SCHEMBL11078152 0.76 KDM4E (0.51) KDM4EGAAGLAMAPTLMNA
SCHEMBL6904917 0.72 KDM4E (0.67) KDM4EGAAGLAMAPTLMNA
SCHEMBL4383562 0.72 MAOB (0.67) KDM4EGAAMAPTLMNAALDH1A1
SCHEMBL29749855 0.72 MAOB (0.67) KDM4EGAAMAPTLMNAALDH1A1
SCHEMBL11075853 0.71 KDM4E (0.49) KDM4EGAAGLAMAPTLMNA
SCHEMBL17716516 0.67 KDM4E (0.48) KDM4EGAAGLAMAPTLMNA
SCHEMBL11075633 0.67 KDM4E (0.70) KDM4EGAAGLAMAPTLMNA
SCHEMBL31006160 0.66 KDM4E (0.61) KDM4EGAAGLAMAPTLMNA

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-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed