SCHEMBL24579138

SCHEMBL24579138

O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)OC(c1ccccc1)(c1ccc(C2CCCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ FABP7 O15540 2/20 0.38
▸ FABP5 Q01469 2/20 0.38
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ TAOK1 Q7L7X3 1/20 0.34
▸ TAOK3 Q9H2K8 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32

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
SCHEMBL25658800 0.93 KMT2A (0.44) KMT2AOPRD1FABP7FABP5TLR2
SCHEMBL25658818 0.93 KMT2A (0.44) KMT2AOPRD1FABP7FABP5TLR2
SCHEMBL25658804 0.93 KMT2A (0.44) KMT2AOPRD1FABP7FABP5TLR2
SCHEMBL23156981 0.93 KMT2A (0.44) KMT2AOPRD1FABP7FABP5TLR2
SCHEMBL25846320 0.89 KMT2A (0.41) KMT2AOPRD1FABP7FABP5TLR2
SCHEMBL23056431 0.87 CASP3 (0.38) FABP7FABP5KIF11FFAR2MDM4
SCHEMBL23056550 0.87 CASP3 (0.38) FABP7FABP5KIF11FFAR2MDM4
SCHEMBL23056549 0.87 CASP3 (0.38) FABP7FABP5KIF11FFAR2MDM4
SCHEMBL23156917 0.87 CASP3 (0.38) FABP7FABP5KIF11FFAR2MDM4
SCHEMBL25658641 0.87 CASP3 (0.38) FABP7FABP5KIF11FFAR2MDM4

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-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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