SCHEMBL21597570

SCHEMBL21597570

COc1ccc(CN(O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
STS P08842 2/20 0.49
GPR119 Q8TDV5 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 1/20 0.45
USP30 Q70CQ3 2/20 0.45
PDE4B Q07343 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
NR1D1 P20393 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
SCHEMBL21597765 0.94 EPHX2 (0.55) EPHX2STSGPR119ALDH1A1KMT2A
SCHEMBL28611806 0.81 STS (0.52) EPHX2STSGPR119ALDH1A1KMT2A
SCHEMBL28622743 0.81 STS (0.52) EPHX2STSGPR119ALDH1A1KMT2A
SCHEMBL27415157 0.79 ALDH1A1 (0.54) EPHX2STSALDH1A1KMT2AMEN1
SCHEMBL28611807 0.79 ALDH1A1 (0.54) EPHX2STSALDH1A1KMT2AMEN1
SCHEMBL21577602 0.78 STS (0.49) EPHX2STSGPR119ALDH1A1KMT2A
SCHEMBL18986384 0.77 MEN1 (0.49) EPHX2STSGPR119ALDH1A1KMT2A
SCHEMBL20220390 0.76 EPHX2 (0.56) EPHX2STSGPR119ALDH1A1KMT2A
SCHEMBL4732973 0.76 EPHX2 (0.61) EPHX2STSGPR119ALDH1A1KMT2A
SCHEMBL31649063 0.76 BMP1 (0.44) EPHX2STSGPR119ALDH1A1KMT2A

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