SCHEMBL23760291

SCHEMBL23760291

CNCCCCCNC(=O)CCCCCNC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.47
LPAR1 Q92633 1/20 0.47
EPHX2 P34913 3/20 0.46
FAAH O00519 3/20 0.46
SLC6A5 Q9Y345 2/20 0.45
NAAA Q02083 1/20 0.44
EPHX1 P07099 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
DNM1 Q05193 1/20 0.44
TSHR P16473 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL21172672 0.96 CASP2 (0.47) CASP2LPAR1EPHX2FAAHSLC6A5
SCHEMBL20202534 0.88 EPHX2 (0.53) CASP2LPAR1EPHX2FAAHSLC6A5
SCHEMBL12295581 0.88 EPHX2 (0.49) CASP2LPAR1EPHX2FAAHSLC6A5
SCHEMBL25030622 0.88 EPHX2 (0.53) CASP2LPAR1EPHX2FAAHSLC6A5
SCHEMBL24997171 0.87 CASP2 (0.44) CASP2LPAR1EPHX2FAAHSLC6A5
SCHEMBL25793510 0.87 CASP2 (0.55) CASP2LPAR1EPHX2FAAHSLC6A5
SCHEMBL23735537 0.86 KDM4E (0.57) CASP2EPHX2FAAHSLC6A5NAAA
SCHEMBL10380841 0.86 CASP2 (0.61) CASP2EPHX2FAAHSLC6A5NAAA
SCHEMBL25793463 0.85 LPAR1 (0.43) CASP2LPAR1EPHX2FAAHSLC6A5
SCHEMBL23735535 0.84 KDM4E (0.55) CASP2EPHX2FAAHSLC6A5NAAA

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
EP-3610884-B1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME (US) 2021-08-18 EP disclosed