SCHEMBL28623458

SCHEMBL28623458

COc1ccc(N(C)C2CCN(C(=O)OC(C)(C)C)C2C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.40
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.36
PDK2 Q15119 2/20 0.36
CPS1 P31327 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
SCHEMBL28607569 0.81 STS (0.45) STSDDB1CRBNKMT2AMEN1
SCHEMBL28610512 0.80 STS (0.56) STSDDB1CRBNKMT2AMEN1
SCHEMBL28622743 0.78 STS (0.52) STSDDB1CRBNKMT2AMEN1
SCHEMBL28611806 0.78 STS (0.52) STSDDB1CRBNKMT2AMEN1
SCHEMBL27415228 0.73 TSHR (0.55) STSKMT2AMEN1ALDH1A1POLB
SCHEMBL30984098 0.73 STS (0.53) STSKMT2AMEN1ALDH1A1GPR119
SCHEMBL31242595 0.73 HSD17B10 (0.39) DDB1CRBNHPGD
SCHEMBL31085659 0.69 HSD11B1 (0.40) HPGD
SCHEMBL4573259 0.69 SUV39H2 (0.48) STSKMT2AMEN1ALDH1A1GPR119
SCHEMBL8108230 0.69 SUV39H2 (0.48) STSKMT2AMEN1ALDH1A1GPR119

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
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed