SCHEMBL11253121

SCHEMBL11253121

O=C(O)c1cc(=O)c2c(OCC(O)COCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.93
LMNA P02545 1/20 0.93
TDP1 Q9NUW8 1/20 0.93
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
HIF1A Q16665 1/20 0.72
ABCG2 Q9UNQ0 9/20 0.45
ABCB1 P08183 2/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 2/20 0.45
CSNK2A2 P19784 1/20 0.45
PTGS1 P23219 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ADRB2 P07550 3/20 0.41
NMT2 O60551 1/20 0.41
ADRB1 P08588 1/20 0.41

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
Cromolyn SCHEMBL29353205 0.96 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL29352570 0.96 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL3865 0.96 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9847182 0.95 GPR35 (0.84) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL8199 0.95 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL4108171 0.95 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL8662365 0.95 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL318268 0.95 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11248438 0.93 GPR35 (0.84) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11175797 0.91 GPR35 (0.88) 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