SCHEMBL22261473

SCHEMBL22261473

CC(=O)c1cc2c(O)c3c(O)cccc3[c]c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ STAT3 P40763 3/20 0.39
▸ MAOA P21397 4/20 0.37
▸ MAOB P27338 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ GLA P06280 1/20 0.33

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
SCHEMBL20851725 0.68 RECQL (0.49) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL5584152 0.68 KDM4E (0.65) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2142605 0.67 ALDH1A1 (0.42) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL15920417 0.66 POLH (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28661959 0.65 ALDH1A1 (0.41) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL1896215 0.63 LMNA (0.66) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL12858762 0.62 KDM4E (1.00) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL14656256 0.61 KDM4E (0.50) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3954485 0.61 LMNA (0.46) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL20189138 0.60 LMNA (0.54) MAPTGAAALDH1A1KDM4EMEN1

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
EP-3686182-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-07-29 — — EP disclosed
CN-111295368-A Chemically activated water soluble prodrugs 大日本住友制药株式会社 2020-06-16 — — CN disclosed
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