SCHEMBL11713541

SCHEMBL11713541

CCOC(=O)c1c(OC)c(C(=O)O)c(O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 9/20 0.51
RECQL P46063 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 5/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.44
CFTR P13569 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK10 P53779 1/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL3561171 0.85 KDM4E (0.59) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL1590855 0.84 ALDH1A1 (0.55) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL28261477 0.82 ALDH1A1 (0.61) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL1590707 0.82 ALDH1A1 (0.65) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL3571825 0.81 KDM4E (0.52) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL28144916 0.79 CA12 (0.55) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL6932897 0.78 KDM4E (0.50) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL3561086 0.77 KDM4E (0.49) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL6264079 0.77 MEN1 (0.49) KDM4EALDH1A1RECQLCA12CA1
SCHEMBL9606773 0.76 ALDH1A1 (0.58) KDM4EALDH1A1RECQLCA12CA1

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
US-4052212-A ETHER-ESTER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-10-04 US disclosed