SCHEMBL9627284

SCHEMBL9627284

O=c1ccc2c3c(ccc2[nH]1)OCCC3O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 2/20 0.42
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ PDE3B Q13370 10/20 0.34
▸ PDE3A Q14432 10/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NQO2 P16083 1/20 0.32
▸ F11 P03951 1/20 0.32

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
SCHEMBL9628439 0.71 L3MBTL1 (0.49) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL9628449 0.70 HTR2A (0.41) CA12CA9CA1CA3CA4
SCHEMBL9626626 0.70 PDE3B (0.33) CA12CA9CA1CA3CA4
SCHEMBL9626996 0.65 KDM4E (0.50) PDE3BPDE3AKDM4EALDH1A1
SCHEMBL9626856 0.64 HPGD (0.50) CA9CA1PDE3BPDE3AKDM4E
SCHEMBL9626791 0.64 CYP1A2 (0.46) CA12CA9CA1CA3CA4
SCHEMBL30752502 0.63 CA12 (0.38) CA12CA9CA1CA3CA4
SCHEMBL9096832 0.63 PDE3B (0.38) CA12CA9CA1CA3CA4
SCHEMBL13849653 0.63 KDM4E (0.50) CA12CA9CA1CA3CA4
SCHEMBL9096470 0.63 HPGD (0.50) PDE3BPDE3AKDM4EALDH1A1MEN1

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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