SCHEMBL17233451

SCHEMBL17233451

CCCCCNC(=O)CCOCC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.63
NAAA Q02083 1/20 0.59
FAAH O00519 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.49
DNM1 Q05193 1/20 0.49
EPHX1 P07099 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 2/20 0.47

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
SCHEMBL16133369 0.94 CASP2 (0.55) CASP2NAAAFAAHSMN1; SMN2HPGD
SCHEMBL27410517 0.91 CASP2 (0.52) CASP2NAAAFAAHSMN1; SMN2HPGD
SCHEMBL11912076 0.91 CASP2 (0.66) CASP2NAAAFAAHHPGDDNM1
SCHEMBL17624918 0.89 CASP2 (0.59) CASP2NAAAFAAHSMN1; SMN2DNM1
SCHEMBL25574266 0.89 CASP2 (0.63) CASP2NAAAFAAHHPGDDNM1
SCHEMBL8251628 0.89 CASP2 (0.63) CASP2NAAAFAAHHPGDDNM1
SCHEMBL19687365 0.88 CASP2 (0.62) CASP2NAAAFAAHSMN1; SMN2DNM1
SCHEMBL17624903 0.87 CASP2 (0.56) CASP2NAAAFAAHSMN1; SMN2DNM1
SCHEMBL12508016 0.87 CASP2 (0.61) CASP2NAAAFAAHHPGDDNM1
SCHEMBL15888712 0.87 SMN1; SMN2 (0.60) CASP2NAAAFAAHSMN1; SMN2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137898-B1 FLUORESCENT MOLECULAR SENSOR FOR TARGETING CHANGES IN PROTEIN SURFACES, AND METHODS OF USE THEREOF YEDA RES & DEV (IL) 2023-09-20 EP disclosed
WO-2020245814-A1 ARTIFICIAL RECEPTORS, RECOMBINANT CELLS COMPRISING THEREOF, METHODS FOR THEIR PREPARATION, AND METHOD OF USING THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-12-10 WO disclosed
US-20170045522-A1 FLUORESCENT MOLECULAR SENSOR FOR TARGETING CHANGES IN PROTEIN SURFACES, AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-02-16 US disclosed
WO-2015166491-A2 FLUORESCENT MOLECULAR SENSOR FOR TARGETING CHANGES IN PROTEIN SURFACES, AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-11-05 WO disclosed