SCHEMBL9627709

SCHEMBL9627709

O=C1CCc2c(ccc3c2CC(O)CO3)N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.36
▸ CREBBP Q92793 3/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ DRD2 P14416 4/20 0.32
▸ ADRA1D P25100 4/20 0.32
▸ SLC6A4 P31645 4/20 0.32
▸ ADRA1A P35348 4/20 0.32
▸ ADRA1B P35368 4/20 0.32
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL5339410 0.76 MTNR1A (0.52) BRD4CREBBPDRD2SLC6A4
SCHEMBL9626819 0.73 PKM (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9095936 0.70 DRD2 (0.35) BRD4CREBBPNPC1MAPK13MAPK12
Hydrochloric Acid SCHEMBL9095687 0.69 DRD2 (0.35) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL9626626 0.66 PDE3B (0.33) —
SCHEMBL9626749 0.65 PDE4D (0.38) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9094190 0.64 BRD4 (0.33) BRD4CREBBPDRD2ADRA1DSLC6A4
SCHEMBL5783955 0.64 MAPT (0.34) CHEK1
SCHEMBL8806234 0.63 HSP90AA1 (0.37) DRD2SLC6A4LMNA
SCHEMBL8805917 0.63 DRD2 (0.37) DRD2ADRA1DSLC6A4ADRA1AADRA1B

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-5093339-A Anticoagulant, hypotensive, antiangina, antiasthma, antiulcer, anti-platelet activating factor KODAMA KABUSHIKI KAISHA (JP) 1992-03-03 — — US disclosed
EP-0355689-A2 Pyrano [f] quinoline derivatives and pharmaceutical compositions containing the same KODAMA KABUSHIKI KAISHA (JP) 1990-02-28 — — EP disclosed
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