SCHEMBL11533808

SCHEMBL11533808

O=C(O)c1cc(=O)c2ccc(OCC3CO3)cc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 6/20 0.61
AKR1B1 P15121 1/20 0.52
USP2 O75604 1/20 0.48
CSNK2A2 P19784 1/20 0.48
PTGS1 P23219 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
POLB P06746 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC2A1 P11166 1/20 0.47
GPR35 Q9HC97 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
APEX1 P27695 1/20 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
SCHEMBL11167202 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2MAPTHPGD
SCHEMBL426292 0.81 KDM4E (0.72) ALDH1A1KDM4EAKR1B1USP2CSNK2A2
SCHEMBL11251461 0.81 KDM4E (0.68) ALDH1A1KDM4EAKR1B1USP2CSNK2A2
SCHEMBL10486553 0.81 TNKS (0.61) KDM4EMAPTTP53CYP3A4SMN1; SMN2
SCHEMBL8584061 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL12829683 0.79 CYP3A4 (0.50) ALDH1A1KDM4EAKR1B1MAPTHPGD
SCHEMBL12829688 0.79 CYP3A4 (0.50) ALDH1A1KDM4EAKR1B1MAPTHPGD
SCHEMBL11244993 0.79 KDM4E (0.65) ALDH1A1KDM4EAKR1B1USP2CSNK2A2
SCHEMBL9847179 0.78 KDM4E (0.67) ALDH1A1KDM4EAKR1B1USP2CSNK2A2
SCHEMBL9847137 0.77 KDM4E (0.66) ALDH1A1KDM4EAKR1B1USP2CSNK2A2

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-4133889-A ANAPHYLAXIS ANTAGONISTS FISONS, LTD. (GB) 1979-01-09 US disclosed