SCHEMBL28773187

SCHEMBL28773187

O=C(C[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 2/20 0.39
▸ FABP5 Q01469 2/20 0.39
▸ PARP1 P09874 2/20 0.34
▸ HCRTR2 O43614 3/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ DAGLA Q9Y4D2 6/20 0.33
▸ ABHD6 Q9BV23 4/20 0.33
▸ TP53 P04637 2/20 0.32
▸ F10 P00742 1/20 0.32
▸ ABHD11 Q8NFV4 1/20 0.32
▸ CHRM3 P20309 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
SCHEMBL25657678 0.96 FABP7 (0.36) FABP7FABP5PARP1HCRTR2HCRTR1
SCHEMBL25658698 0.94 FFAR2 (0.36) FABP7FABP5PARP1HCRTR2HCRTR1
SCHEMBL25658700 0.94 FFAR2 (0.36) FABP7FABP5PARP1HCRTR2HCRTR1
SCHEMBL25657679 0.93 FABP7 (0.36) FABP7FABP5PARP1HCRTR2CHRM3
SCHEMBL25658705 0.93 FFAR2 (0.36) FABP7FABP5PARP1HCRTR2F10
SCHEMBL25658708 0.93 FFAR2 (0.36) FABP7FABP5PARP1HCRTR2F10
SCHEMBL26449252 0.83 FABP7 (0.38) FABP7FABP5
SCHEMBL24579905 0.80 FABP7 (0.37) FABP7FABP5PARP1HCRTR2F10
SCHEMBL28773174 0.80 FABP5 (0.38) FABP7FABP5PARP1HCRTR2TP53
SCHEMBL2565677 0.79 FFAR1 (0.44) FABP7FABP5HCRTR2HCRTR1

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-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 — — CN disclosed
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