SCHEMBL30942636

SCHEMBL30942636

O=C(O)COC1CCC(C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.39
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ PTGIR P43119 7/20 0.35
▸ ENPP2 Q13822 5/20 0.32
▸ APP P05067 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ ADCY5 O95622 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL9194978 0.83 — —
SCHEMBL21384275 0.82 ATF4 (0.38) ITGB3ITGA2BPTGIRPDK2
SCHEMBL29755709 0.77 ITGB3 (0.40) HCRTR2ITGB3ITGA2BPTGIRADCY5
SCHEMBL8716708 0.75 ITGB3 (0.39) ITGB3ITGA2BPTGIRADCY5
SCHEMBL360541 0.74 ITGB3 (0.41) ITGB3ITGA2BPTGIR
SCHEMBL1733927 0.74 — —
SCHEMBL20721947 0.74 ADCY5 (0.35) ITGB3ITGA2BPDK2ADCY5
SCHEMBL20722083 0.74 ADCY5 (0.35) ITGB3ITGA2BPDK2ADCY5
SCHEMBL8560336 0.74 ITGB3 (0.38) ITGB3ITGA2BPTGIRADCY5
SCHEMBL1714642 0.74 APP (0.34) HCRTR2ENPP2APPCYP2C9

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-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 — — WO disclosed
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