SCHEMBL7228462

SCHEMBL7228462

CC(C)COc1cccc2oc(C(=O)O)cc(=O)c12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.81
▸ LMNA P02545 1/20 0.81
▸ TDP1 Q9NUW8 1/20 0.81
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.48
▸ 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
▸ ABCG2 Q9UNQ0 9/20 0.47
▸ ABCB1 P08183 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ EDNRA P25101 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42

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
SCHEMBL7999403 0.91 GPR35 (0.83) GPR35LMNATDP1MEN1KMT2A
SCHEMBL13668745 0.90 GPR35 (0.85) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL29352570 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
SCHEMBL13668746 0.90 GPR35 (0.85) GPR35LMNATDP1MEN1KMT2A
SCHEMBL17145234 0.90 GPR35 (0.85) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL29353205 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11242095 0.90 GPR35 (0.85) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL3865 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9840975 0.90 GPR35 (0.81) GPR35LMNATDP1MEN1KMT2A
Propane SCHEMBL11396631 0.89 GPR35 (0.80) 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-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 — — US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 — — EP disclosed
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