SCHEMBL22877930

SCHEMBL22877930

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ ABCG2 Q9UNQ0 9/20 0.48
▸ ABCB1 P08183 2/20 0.46
▸ ADRB2 P07550 4/20 0.45
▸ NMT2 O60551 2/20 0.45
▸ ADRB1 P08588 2/20 0.45
▸ ADRB3 P13945 2/20 0.45
▸ NMT1 P30419 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL15452216 0.95 GPR35 (0.76) GPR35LMNATDP1MEN1KMT2A
SCHEMBL2719029 0.93 GPR35 (0.79) GPR35LMNATDP1MEN1KMT2A
SCHEMBL14473271 0.91 GPR35 (0.84) GPR35LMNATDP1MEN1KMT2A
SCHEMBL10307544 0.90 GPR35 (0.68) GPR35LMNATDP1MEN1KMT2A
SCHEMBL25669927 0.89 GPR35 (0.67) GPR35LMNATDP1MEN1KMT2A
SCHEMBL2717434 0.89 GPR35 (0.88) GPR35LMNATDP1MEN1KMT2A
SCHEMBL14544412 0.88 GPR35 (0.65) GPR35LMNATDP1MEN1KMT2A
SCHEMBL10307791 0.86 GPR35 (0.62) GPR35LMNATDP1MEN1KMT2A
SCHEMBL15452215 0.85 GPR35 (0.60) GPR35LMNATDP1MEN1KMT2A
SCHEMBL26848550 0.85 GPR35 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763419-A1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES Anji Pharma (US) LLC (US) 2021-01-13 — — EP disclosed
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