SCHEMBL28180739

SCHEMBL28180739

CCC(=O)CC.O=S(=O)(Oc1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.46
▸ CXCR2 P25025 2/20 0.44
▸ CXCR1 P25024 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ DRD2 P14416 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD5 P21918 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
Propionic Acid SCHEMBL6722644 0.91 KMT2A (0.46) HSD11B1CXCR2CXCR1CA1CA2
SCHEMBL28078111 0.86 CA1 (0.44) HSD11B1CXCR2CXCR1CA1CA2
Acetic Acid SCHEMBL27484648 0.85 CXCR2 (0.49) HSD11B1CXCR2CXCR1CA1CA2
SCHEMBL28131493 0.84 CA1 (0.45) CXCR2CXCR1CA1CA2CA9
SCHEMBL780030 0.83 CA1 (0.56) CXCR2CXCR1CA1CA2CA9
SCHEMBL8821206 0.83 CA1 (0.56) CXCR2CXCR1CA1CA2CA9
SCHEMBL27750191 0.83 CXCR2 (0.48) HSD11B1CXCR2CXCR1CA1CA2
SCHEMBL27319143 0.82 CXCR2 (0.53) HSD11B1CXCR2CXCR1CA1CA2
SCHEMBL28807949 0.81 CA1 (0.54) CXCR2CXCR1CA1CA2CA9
SCHEMBL1128833 0.81 CA1 (0.54) CXCR2CXCR1CA1CA2CA9

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-107188869-A The preparation and application of fluorine-containing epoxy resin monomer and performed polymer and its initiator 华中师范大学 2017-09-22 — — CN disclosed
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