SCHEMBL11316238

SCHEMBL11316238

CCN(C(=O)CCCOc1ccc2ccc(=O)[nH]c2c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ PDE3B Q13370 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ PTAFR P25105 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PDE1A P54750 1/20 0.52
▸ PDE1B Q01064 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ PDE1C Q14123 1/20 0.52
▸ ACHE P22303 1/20 0.48

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
SCHEMBL4925485 0.93 MEN1 (0.59) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL11322945 0.89 MEN1 (0.55) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL7454181 0.84 PDE3B (0.56) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL11063761 0.81 KDM4E (0.54) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL7458407 0.80 PDE3B (0.64) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL11308957 0.79 MEN1 (0.56) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL11322280 0.79 PDE3B (0.60) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL20140219 0.79 PDE3B (0.55) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL11061459 0.79 PDE3B (0.55) MEN1KMT2APDE3BPDE3ATSHR
SCHEMBL11313432 0.78 PDE3B (0.64) MEN1KMT2APDE3BPDE3ATSHR

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
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