SCHEMBL11310353

SCHEMBL11310353

CC(COc1ccc2[nH]c(=O)ccc2c1)CC(=O)N(C)C1CCCCC1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.55
▸ PDE3A Q14432 11/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ PDE5A O76074 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTAFR P25105 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PDE1A P54750 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ PDE1C Q14123 1/20 0.55
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL11323008 0.88 PDE3B (0.71) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11316622 0.84 PDE3B (0.77) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11312303 0.79 PDE3B (0.71) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11317240 0.78 PDE3B (0.56) PDE3BPDE3AMEN1KMT2AALDH1A1
SCHEMBL11312994 0.77 XDH (0.47) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11308899 0.75 PDE3B (0.75) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11313417 0.75 PDE3B (0.45) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11327788 0.74 PDE3B (0.79) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11324766 0.74 PDE3B (0.79) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11308944 0.73 PDE3B (0.51) 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 1 patent. 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 disclosed
Send feedback