SCHEMBL11458488

SCHEMBL11458488

O=C(O)c1cc(=O)c2ccc(OCC(O)COc3ccc4c(=O)ccoc4c3)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.51
GPR35 Q9HC97 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
AKR1B1 P15121 1/20 0.48
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
USP2 O75604 1/20 0.44
CSNK2A2 P19784 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL11244993 0.92 KDM4E (0.65) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL11182177 0.87 KDM4E (0.60) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL11834789 0.87 KDM4E (0.60) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL11461660 0.86 KDM4E (0.58) KDM4EALDH1A1MAOAMAOBCA12
SCHEMBL11827832 0.86 KDM4E (0.58) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL9847179 0.83 KDM4E (0.67) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL11339840 0.83 KDM4E (0.60) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL11843063 0.83 KDM4E (0.54) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL11058733 0.82 GPR35 (0.58) KDM4EALDH1A1LMNAGPR35TDP1
SCHEMBL11240996 0.82 GPR35 (0.79) KDM4EALDH1A1LMNAGPR35TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4213903-A Basic amino acid salts of chromones FISONS LIMITED (GB) 1980-07-22 US disclosed
US-4133889-A ANAPHYLAXIS ANTAGONISTS FISONS, LTD. (GB) 1979-01-09 US disclosed