SCHEMBL19084383

SCHEMBL19084383

CCC[C@@H]1C[C@H](C)C2C(=O)N(CC3CCCCC3C(=O)O)C(=O)C21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
MEN1 O00255 1/20 0.31
NPBWR1 P48145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16781368 0.76 KMT2A (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16804113 0.76 KMT2A (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18673134 0.73
SCHEMBL16804114 0.72 MEN1 (0.35) MEN1NPBWR1KMT2AL3MBTL1
SCHEMBL19576642 0.68 CA1 (0.33) CA1CA2CA4
SCHEMBL6033629 0.67 KEAP1 (0.36) L3MBTL1
SCHEMBL19346761 0.65 DRD2 (0.46) MEN1KMT2AL3MBTL1
SCHEMBL28028180 0.64 CYP1A2 (0.42) CA1CA2CA4
SCHEMBL6253050 0.64 CYP1A2 (0.42) CA1CA2CA4
SCHEMBL12942860 0.63 PEPD (0.41) MEN1KMT2A

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
US-20170192025-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX LLC (US) 2017-07-06 US disclosed