SCHEMBL11401057

SCHEMBL11401057

CN(C(=O)C=CCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.67
▸ PDE3A Q14432 14/20 0.67
▸ ALDH1A1 P00352 6/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ HPGD P15428 4/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ PDE5A O76074 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ PTAFR P25105 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ PDE1A P54750 1/20 0.67
▸ PDE1B Q01064 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ PDE1C Q14123 1/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL11065216 0.86 KDM4E (0.54) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL11324766 0.83 PDE3B (0.79) PDE3BPDE3AALDH1A1KDM4EHPGD
Cilostamide SCHEMBL29491047 0.80 PDE3B (1.00) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL11317158 0.80 PDE3B (1.00) PDE3BPDE3AALDH1A1KDM4EHPGD
Cilostamide SCHEMBL49742 0.80 PDE3B (1.00) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL11313093 0.78 PDE3B (0.92) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL7800144 0.78 PDE3B (0.75) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL8952138 0.78 PDE3B (0.81) PDE3BPDE3AALDH1A1KDM4EHPGD
Cilostamide SCHEMBL11310308 0.78 PDE3B (0.94) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL11312303 0.78 PDE3B (0.71) PDE3BPDE3AALDH1A1KDM4EHPGD

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
JP-55076864-A — — None — — JP disclosed
JP-S5576864-A CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1980-06-10 — — JP disclosed
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