SCHEMBL28514239

SCHEMBL28514239

O=C(OCc1ccccc1)OC(=O)C1CNCCN1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
HTR2C P28335 1/20 0.44
ALDH1A1 P00352 3/20 0.40
BACE1 P56817 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL27372387 0.89 TSHR (0.54) GLATSHRHTR2CALDH1A1BACE1
SCHEMBL7412066 0.86 TSHR (0.48) GLATSHRHTR2CALDH1A1BACE1
SCHEMBL4758450 0.83 TSHR (0.51) GLATSHRHTR2CALDH1A1
SCHEMBL489770 0.83 TSHR (0.51) GLATSHRHTR2CALDH1A1
SCHEMBL3447413 0.83 TSHR (0.51) GLATSHRHTR2CALDH1A1
SCHEMBL434313 0.79 HTR2C (0.52) TSHRHTR2CALDH1A1MAPK1L3MBTL1
SCHEMBL8602762 0.79 ALDH1A1 (0.43) GLATSHRHTR2CALDH1A1BACE1
SCHEMBL8604142 0.79 ALDH1A1 (0.43) GLATSHRHTR2CALDH1A1BACE1
SCHEMBL18545121 0.78 SMN1; SMN2 (0.51) GLATSHRHTR2CKMT2A
SCHEMBL6167045 0.78 CTSC (0.46) GLATSHRHTR2CALDH1A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368289-B C26-linked rapamycin analogues as MTOR inhibitors 锐新医药公司 2024-02-20 CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-112771054-A C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors 锐新医药公司 2021-05-07 CN disclosed
CN-112368289-A C26-linked rapamycin analogs as MTOR inhibitors 锐新医药公司 2021-02-12 CN disclosed