SCHEMBL19369656

SCHEMBL19369656

CCCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.43
TSHR P16473 3/20 0.43
RECQL P46063 1/20 0.43
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 1/20 0.40
FAAH O00519 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CES2 O00748 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ENPP2 Q13822 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GLP1R P43220 3/20 0.38

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
SCHEMBL24484089 0.92 FAAH (0.45) CASP2TSHRNAAACNR1FAAH
SCHEMBL16273323 0.92 FAAH (0.45) CASP2TSHRNAAACNR1FAAH
SCHEMBL21153506 0.92 CASP2 (0.44) CASP2TSHRRECQLNAAAALDH1A1
SCHEMBL12082159 0.90 CASP2 (0.46) CASP2TSHRNAAACNR1SMN1; SMN2
SCHEMBL13598099 0.90 MEN1 (0.41) CASP2TSHRNAAACNR1FAAH
SCHEMBL20327891 0.90 MEN1 (0.41) CASP2TSHRNAAACNR1FAAH
SCHEMBL24435855 0.89 FAAH (0.54) CASP2NAAAFAAHENPP2LPAR1
SCHEMBL24435860 0.89 FAAH (0.54) CASP2NAAAFAAHENPP2LPAR1
SCHEMBL24435906 0.89 FAAH (0.54) CASP2NAAAFAAHENPP2LPAR1
SCHEMBL24435928 0.89 FAAH (0.54) CASP2NAAAFAAHENPP2LPAR1

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-2017160669-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed