SCHEMBL11244993

SCHEMBL11244993

O=C(O)c1cc(=O)c2ccc(OCC(O)COc3ccc4c(=O)cc(C(=O)O)oc4c3)cc2o1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 2/20 0.65
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 1/20 0.58
GPR35 Q9HC97 1/20 0.58
AKR1B1 P15121 1/20 0.56
USP2 O75604 1/20 0.51
CSNK2A2 P19784 1/20 0.51
PTGS1 P23219 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
SLC2A1 P11166 1/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL11834789 0.95 KDM4E (0.60) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11827832 0.94 KDM4E (0.58) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11182177 0.93 KDM4E (0.60) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11458488 0.92 KDM4E (0.56) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL9847179 0.91 KDM4E (0.67) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11339840 0.91 KDM4E (0.60) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11843063 0.90 KDM4E (0.54) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11058733 0.90 GPR35 (0.58) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11240996 0.89 GPR35 (0.79) KDM4EALDH1A1TDP1LMNAGPR35
SCHEMBL11467868 0.88 ALDH1A1 (0.55) KDM4EALDH1A1TDP1LMNAGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152448-A ANTIINFLAMMATORY FISONS LIMITED (GB) 1979-05-01 US claimed
US-4362742-A TOPICAL APPLICATION SULLIVAN THOMAS J 1982-12-07 US disclosed
US-4271182-A TOPICAL APPLICATION OF 1,3-BIS((2-CARBOXY-CHROMON-5-)OXY)-2-HYDROXYPROPANE FISONS LIMITED (GB) 1981-06-02 US disclosed
US-4161516-A PELLET OR GRANULAR, ADAPTED TO BE FLUIDIZE AND USED AS INHALANT FISONS LIMITED (GB) 1979-07-17 US disclosed
US-4152448-A ANTIINFLAMMATORY FISONS LIMITED (GB) 1979-05-01 US disclosed