SCHEMBL9626626

SCHEMBL9626626

O=c1ccc2c3c(ccc2[nH]1)OCC(O)C3

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.33
▸ PDE3A Q14432 11/20 0.33
▸ NQO2 P16083 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ MTNR1A P48039 2/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL6109246 0.78 HTR1D (0.38) MTNR1A
SCHEMBL9096470 0.77 HPGD (0.50) PDE3BPDE3AKDM4E
SCHEMBL9245586 0.76 HTR1A (0.33) PDE3BPDE3AMTNR1AKDM4EALOX15
SCHEMBL9626996 0.75 KDM4E (0.50) PDE3BPDE3AKDM4EHSD17B10
SCHEMBL9096832 0.73 PDE3B (0.38) PDE3BPDE3ANQO2CA12CA1
SCHEMBL9628449 0.72 HTR2A (0.41) PDE3BPDE3ANQO2CA12CA1
SCHEMBL9095629 0.70 PDE3B (0.34) PDE3BPDE3ANQO2CA12CA1
SCHEMBL9627284 0.70 MAP3K14 (0.42) PDE3BPDE3ANQO2CA12CA1
SCHEMBL6091809 0.66 HTR1D (0.44) —
SCHEMBL9626856 0.66 HPGD (0.50) PDE3BPDE3ANQO2CA1CA9

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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