SCHEMBL28601865

SCHEMBL28601865

CCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.48
KMT2A Q03164 2/20 0.47
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
TNF P01375 2/20 0.43
CASP3 P42574 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL29616789 0.99 TLR2 (0.47) TLR2KMT2AFABP5FABP7TNF
SCHEMBL2401697 0.95 KMT2A (0.46) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL3426738 0.87 KMT2A (0.48) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL28036073 0.87 KMT2A (0.48) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL524835 0.87 KMT2A (0.48) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL525558 0.87 KMT2A (0.48) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL524545 0.87 KMT2A (0.48) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL3976225 0.87 KMT2A (0.48) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL25144 0.86 KMT2A (0.49) TLR2KMT2AFABP5FABP7CASP3
SCHEMBL28885341 0.85 TLR2 (0.46) TLR2KMT2AFABP5FABP7TNF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022184163-A1 MODIFIED NONAPEPTIDE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京北科华夏生物医药科技有限公司 2022-09-09 WO disclosed
CN-113214354-B Modified nonapeptide and preparation method and application thereof 北京北科华夏生物医药科技有限公司 2022-03-25 CN disclosed
CN-113214354-A Modified nonapeptide and preparation method and application thereof 北京北科华夏生物医药科技有限公司 2021-08-06 CN disclosed