SCHEMBL11323008

SCHEMBL11323008

CC(COc1ccc2[nH]c(=O)ccc2c1)CC(=O)N(C)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 17/20 0.71
▸ PDE3A Q14432 17/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ PDE5A O76074 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ PTAFR P25105 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ PDE1A P54750 1/20 0.71
▸ PDE1B Q01064 1/20 0.71
▸ PMP22 Q01453 1/20 0.71
▸ PDE1C Q14123 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ P2RY12 Q9H244 11/20 0.47

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
SCHEMBL11312303 0.90 PDE3B (0.71) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11310353 0.88 PDE3B (0.55) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11324766 0.86 PDE3B (0.79) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11308944 0.84 PDE3B (0.51) PDE3BPDE3AMEN1KMT2AKDM4E
Cilostamide SCHEMBL29491047 0.83 PDE3B (1.00) PDE3BPDE3AMEN1KMT2AKDM4E
Cilostamide SCHEMBL49742 0.83 PDE3B (1.00) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11317158 0.83 PDE3B (1.00) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11313093 0.82 PDE3B (0.92) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL29855225 0.82 PDE3B (0.72) PDE3BPDE3AMEN1KMT2AKDM4E
Cilostamide SCHEMBL11310308 0.81 PDE3B (0.94) PDE3BPDE3AMEN1KMT2AKDM4E

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-4298739-A ANTICOAGULANTS, ANTIINFLAMMATORY, ANTIULCER, VASODILATOR, PHOSPHODIESTERASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-03 — — US claimed
US-4298739-A ANTICOAGULANTS, ANTIINFLAMMATORY, ANTIULCER, VASODILATOR, PHOSPHODIESTERASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-03 — — US disclosed
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