SCHEMBL19903903

SCHEMBL19903903

CCC(C)CC(=O)NCCCCCC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NAAA Q02083 1/20 0.41
EPHX1 P07099 1/20 0.40
FAAH O00519 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
DNM1 Q05193 1/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 3/20 0.37
HPGD P15428 1/20 0.37
SLC6A5 Q9Y345 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
SCHEMBL25918071 0.85 CASP2 (0.44) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL19682981 0.85 CASP2 (0.44) CASP2KMT2AMEN1NAAAEPHX1
SCHEMBL24812535 0.85 SMN1; SMN2 (0.51) CASP2KMT2AMEN1NAAAEPHX1
SCHEMBL2603187 0.85 SMN1; SMN2 (0.51) CASP2KMT2AMEN1NAAAEPHX1
SCHEMBL16260385 0.83 MEN1 (0.63) CASP2KMT2AMEN1NAAAEPHX1
SCHEMBL9943126 0.83 MEN1 (0.63) CASP2KMT2AMEN1NAAAEPHX1
SCHEMBL18768810 0.83 CASP2 (0.52) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL26382685 0.83 CASP2 (0.52) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL18768806 0.83 CASP2 (0.52) CASP2KMT2AMEN1NAAAFAAH
SCHEMBL18768947 0.83 CASP2 (0.52) CASP2KMT2AMEN1NAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092256-B1 COMPOUNDS AND COMPOSITIONS FOR IMMUNOTHERAPY BIRDIE BIOPHARMACEUTICALS INC (KY) 2022-05-18 EP disclosed
EP-2935331-B1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF ABBVIE INC (US) 2018-02-28 EP disclosed