SCHEMBL8886500

SCHEMBL8886500

CCOC(=O)c1c(CN(CC)CC)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.47
▸ SLC10A2 Q12908 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACHE P22303 4/20 0.41
▸ HPGD P15428 1/20 0.40
▸ CACNB4 O00305 1/20 0.40

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
SCHEMBL8883891 0.91 MAPT (0.46) GAAPOLBKDM4ESLC10A2MAPT
SCHEMBL8882481 0.91 SLC10A2 (0.44) GAAPOLBKDM4ESLC10A2MAPT
SCHEMBL8137960 0.91 SLC10A2 (0.54) GAAPOLBKDM4ESLC10A2MAPT
SCHEMBL8883747 0.88 SLC10A2 (0.45) GAAPOLBKDM4ESLC10A2MAPT
SCHEMBL8132011 0.87 MAPT (0.60) GAAPOLBKDM4ESLC10A2MAPT
SCHEMBL8139078 0.86 SLC10A2 (0.51) GAAPOLBKDM4ESLC10A2MAPT
SCHEMBL7820772 0.85 GAA (0.50) GAAPOLBKDM4ESLC10A2MAPT
Hydrochloric Acid SCHEMBL8124959 0.85 SLC10A2 (0.50) GAAKDM4ESLC10A2MAPTALDH1A1
SCHEMBL7823994 0.82 GAA (0.47) GAAPOLBKDM4ESLC10A2MAPT
SCHEMBL8886772 0.82 SLC10A2 (0.56) GAAKDM4ESLC10A2MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650410-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 — — US disclosed
EP-0749426-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1996-12-27 — — EP disclosed
WO-1995024394-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-09-14 — — WO disclosed
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