SCHEMBL10684871

SCHEMBL10684871

CCOc1cc(/C=C/c2nc3c(C(=O)O)cccc3[nH]2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ DHODH Q02127 1/20 0.47
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PARP1 P09874 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ PDE4D Q08499 2/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HIF1A Q16665 2/20 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
Phosphoric Acid SCHEMBL10684618 0.93 MAPT (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10687590 0.92 DHODH (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10690859 0.92 DHODH (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10692537 0.91 DHODH (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
Bromide SCHEMBL10687725 0.91 DHODH (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10689904 0.90 ALDH1A1 (0.48) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10687874 0.90 DHODH (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10687978 0.90 PARP1 (0.59) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
Sulfuric Acid SCHEMBL10687272 0.89 DHODH (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10685525 0.89 KMT2A (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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
US-4769384-A ANTIULCER AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1988-09-06 — — US disclosed
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