SCHEMBL27385149

SCHEMBL27385149

Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 2/20 0.36
ENPP3 O14638 2/20 0.35
ENPP1 P22413 2/20 0.35
ENPP2 Q13822 2/20 0.35
STAT3 P40763 1/20 0.35
MMP13 P45452 1/20 0.34
CYP2D6 P10635 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7231801 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL21987588 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL2443355 0.79 POLB (0.37) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL21987475 0.78 CYP2D6 (0.52) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL16126799 0.78 CYP2D6 (0.52) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL856351 0.78 GPR119 (0.48) MEN1KMT2AMMP13
SCHEMBL856350 0.78 GPR119 (0.48) MEN1KMT2AMMP13
SCHEMBL505550 0.78 GPR119 (0.48) MEN1KMT2AMMP13
SCHEMBL29895401 0.78 GPR119 (0.48) MEN1KMT2AMMP13
SCHEMBL857313 0.78 GPR119 (0.48) MEN1KMT2AMMP13

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
WO-2024075696-A1 IMIDAZOPYRIDINE DERIVATIVES WITH BICYCLIC STRUCTURE 公立大学法人横浜市立大学 2024-04-11 WO disclosed