SCHEMBL29959935

SCHEMBL29959935

CCCCC(CC)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.69
CRHR2 Q13324 1/20 0.69
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 2/20 0.51
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
MAOB P27338 2/20 0.46
HTT P42858 3/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL11230207 0.94 CRHBP (0.60) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL10644154 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2APKMMAPT
SCHEMBL27434267 0.85 CRHBP (0.79) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL4694192 0.84 CRHBP (0.77) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL4694193 0.84 CRHBP (0.77) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL8366345 0.82 CRHBP (1.00) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL17465786 0.82 CRHBP (1.00) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL8365898 0.81 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EKMT2APKM
SCHEMBL22197294 0.81 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EKMT2APKM
SCHEMBL29959729 0.81 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EKMT2APKM

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-3485076-B1 CLEANING AGENT IDENTIFICATION HENKEL AG & CO KGAA (DE) 2022-11-02 EP disclosed