SCHEMBL11245442

SCHEMBL11245442

O=C(O)c1cc(=O)c2c(OCCCCCCCCOc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.72
LMNA P02545 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
ABCG2 Q9UNQ0 7/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
CSNK2A2 P19784 1/20 0.50
PTGS1 P23219 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
SIGMAR1 Q99720 5/20 0.49
ABCB1 P08183 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
EDNRA P25101 1/20 0.43
MAOB P27338 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
SCHEMBL11250063 1.00 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11253078 1.00 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11247900 1.00 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11246892 1.00 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL2295037 0.99 GPR35 (0.70) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11248651 0.99 GPR35 (0.74) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11142080 0.96 GPR35 (0.74) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11244502 0.94 GPR35 (0.76) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9847173 0.94 GPR35 (0.65) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9847108 0.94 GPR35 (0.65) GPR35LMNATDP1MEN1KMT2A

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-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