SCHEMBL21597765

SCHEMBL21597765

COc1ccc(CN(O)C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
STS P08842 2/20 0.53
GPR119 Q8TDV5 5/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
BMP1 P13497 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL21597570 0.94 EPHX2 (0.51) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL21577602 0.81 STS (0.49) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL18986384 0.80 MEN1 (0.49) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL4732973 0.80 EPHX2 (0.61) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL20220390 0.80 EPHX2 (0.56) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL28610512 0.80 STS (0.56) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL21577641 0.79 EPHX2 (0.57) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL30706890 0.78 STS (0.52) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL30642290 0.78 STS (0.51) EPHX2STSGPR119ALDH1A1MEN1
SCHEMBL29253172 0.77 STS (0.58) EPHX2STSGPR119ALDH1A1MEN1

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
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed