SCHEMBL25052849

SCHEMBL25052849

CC(NC(=O)CCCCC(=O)O)C(=O)NC(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FAAH O00519 4/20 0.37
CAPN1 P07384 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.34
PSMB5 P28074 1/20 0.34
GAA P10253 1/20 0.34
BIRC2 Q13490 1/20 0.34

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
SCHEMBL26231755 1.00 PLA2G10 (0.38) PLA2G10HRH3FAAHCAPN1NPSR1
SCHEMBL25052856 0.89 FAAH (0.49) PLA2G10FAAHCAPN1PLA2G2CKMT2A
SCHEMBL17616958 0.87 RECQL (0.39) HRH3CAPN1NPSR1KMT2ABIRC2
SCHEMBL17570956 0.87 RECQL (0.39) HRH3CAPN1NPSR1KMT2ABIRC2
SCHEMBL19257482 0.85 FAAH (0.39) HRH3FAAHCAPN1NPSR1
SCHEMBL21549706 0.85 NPSR1 (0.38) HRH3FAAHCAPN1NPSR1KMT2A
SCHEMBL25051421 0.84 RECQL (0.42) PLA2G10HRH3FAAHCAPN1NPSR1
SCHEMBL31529223 0.81 FAAH (0.57) PLA2G10FAAHPLA2G2CKMT2AMEN1
SCHEMBL7098518 0.81 FAAH (0.57) PLA2G10FAAHPLA2G2CKMT2AMEN1
SCHEMBL31529071 0.81 FAAH (0.57) PLA2G10FAAHPLA2G2CKMT2AMEN1

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-2023018960-A1 IMPROVED METHODS FOR PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2023-02-16 WO disclosed