SCHEMBL25006755

SCHEMBL25006755

CCCCC(C)/C(C)=N/C=C(\C)CCc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL25008019 0.87 PNMT (0.37) —
SCHEMBL13120828 0.69 PPARA (0.47) KCNH2ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL20708183 0.69 AOC3 (0.42) KCNH2ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL4659398 0.66 PLAAT3 (0.45) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4660647 0.66 PLAAT3 (0.45) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL19314647 0.65 BDKRB2 (0.33) —
SCHEMBL25006433 0.64 NQO2 (0.38) ALDH1A1MMP2CTSKSLC6A2SLC6A4
SCHEMBL53919 0.64 KCNH2 (0.61) KCNH2ALDH1A1HPGDCA1CA2
SCHEMBL2056149 0.62 KCNH2 (0.70) KCNH2ALDH1A1CA2PPARASLC6A2
SCHEMBL7946947 0.62 TAAR1 (0.50) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4

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
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 — — EP disclosed
Send feedback