SCHEMBL29138540

SCHEMBL29138540

Cc1noc(C)c1CCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RX7 Q99572 3/20 0.36
ATM Q13315 1/20 0.36
AR P10275 1/20 0.36
TAS2R8 Q9NYW2 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
SCHEMBL14677142 0.89 LMNA (0.43) LMNAMEN1KMT2AGAACRHBP
SCHEMBL2616802 0.80 LMNA (0.43) LMNAMEN1KMT2AGAACRHBP
SCHEMBL96071 0.79
SCHEMBL14759391 0.78 LMNA (0.42) LMNAMEN1KMT2AGAACRHBP
SCHEMBL18647926 0.78 TLR8 (0.42) LMNAGAACRHBPCRHR2ALDH1A1
SCHEMBL2238495 0.77 LMNA (0.48) LMNAMEN1KMT2AGAACRHBP
SCHEMBL8237746 0.77 LMNA (0.44) LMNAMEN1KMT2AGAACRHBP
SCHEMBL3690521 0.77 LMNA (0.41) LMNAMEN1KMT2AGAACRHBP
SCHEMBL22459185 0.77 TLR8 (0.41) LMNAKMT2AGAACRHBPCRHR2
SCHEMBL18898429 0.77 TLR8 (0.41) LMNAKMT2AGAACRHBPCRHR2

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-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed