SCHEMBL28596809

SCHEMBL28596809

OC[C@@H](O)CC#CC[C@H](O)CO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.42
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5306433 1.00 LMNA (0.53) LMNAALDH1A1THRBTDP1MAPT
SCHEMBL4526347 0.86
SCHEMBL12764851 0.82
SCHEMBL17260452 0.82
SCHEMBL18422671 0.82
SCHEMBL17260442 0.82
SCHEMBL16675568 0.82
SCHEMBL16820909 0.82
SCHEMBL4523537 0.82 GRIK1 (0.39) LMNAALDH1A1THRBUSP2CYP3A4
SCHEMBL7453785 0.80 ALDH1A1 (0.35) LMNAALDH1A1

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-113195473-A Tricyclic compound as STING agonist and preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-30 CN disclosed