SCHEMBL30686169

SCHEMBL30686169

O=C(O)[C@@H]1[C@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.40
OPRD1 P41143 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4050272 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL4038089 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL4448418 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL3423135 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL30686135 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL5256666 0.94 FABP5 (0.44) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL16179303 0.89 KMT2A (0.45) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL30363018 0.88 FABP5 (0.45) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL4040012 0.88 FABP5 (0.45) FABP5FABP7KMT2AEPHX2OPRD1
SCHEMBL1675971 0.86 FABP5 (0.50) FABP5FABP7KMT2AEPHX2OPRD1

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-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed