SCHEMBL29112372

SCHEMBL29112372

O[C]1CCOc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NOTUM Q6P988 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
NPY5R Q15761 1/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
GAA P10253 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
SCHEMBL20831516 0.76 ITGB2 (0.72) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL27758873 0.74 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
Chromanone SCHEMBL28794 0.74 MAOB (0.56) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL27548371 0.74 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL29388064 0.74 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5173946 0.74 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
Chromanone SCHEMBL29384996 0.74 MAOB (0.56) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL154144 0.74 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8787503 0.74 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
Chromanone SCHEMBL28205525 0.74 MAOB (0.56) ITGB2ICAM1ITGALMEN1KMT2A

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-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed