SCHEMBL11092548

SCHEMBL11092548

CCOC(=O)/C(N)=C(\C#N)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL11092550 1.00 ALDH1A1 (0.52) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL11093346 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL11093343 0.91 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL27912740 0.86 ALDH1A1 (0.53) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL2115865 0.85 ALDH1A1 (0.61) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL1754710 0.85 ALDH1A1 (0.61) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL18663865 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL22102522 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL11890432 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL18663857 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049841-B1 HYDANTOIN DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1984-09-12 EP disclosed
US-4363916-A AGRICULTURAL CHEMICALS, BACTERICIDES OR INTERMEDIATES UBE INDUSTRIES, LTD. (JP) 1982-12-14 US disclosed
EP-0049841-A1 Hydantoin derivatives UBE INDUSTRIES, LTD. (JP) 1982-04-21 EP disclosed