SCHEMBL19277702

SCHEMBL19277702

CCCC(=O)NCCOCCOCC(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GLP1R P43220 8/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
HPGD P15428 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
SCHEMBL23696405 1.00 CASP2 (0.44) CASP2MEN1KMT2AGLP1RCA12
SCHEMBL13024328 0.97 CASP2 (0.42) CASP2MEN1KMT2AGLP1RCA12
SCHEMBL23157527 0.88 CASP2 (0.46) CASP2MEN1KMT2ACA12CA1
SCHEMBL21106543 0.88 MEN1 (0.47) MEN1KMT2AGLP1RCA12CA1
SCHEMBL24684540 0.88 FAAH (0.51) CASP2GLP1R
SCHEMBL10048529 0.88 CASP2 (0.55) CASP2MEN1KMT2ACA12CA1
SCHEMBL13025474 0.87 MEN1 (0.40) MEN1KMT2AGLP1R
SCHEMBL24943603 0.85 CASP2 (0.43) CASP2MEN1KMT2ACA12CA1
SCHEMBL25029532 0.85 MEN1 (0.44) MEN1KMT2AGLP1R
SCHEMBL26059048 0.84 SMN1; SMN2 (0.37) MEN1KMT2AGLP1RCA12CA1

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-2017143059-A1 MAX BINDERS AS MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-08-24 WO disclosed