SCHEMBL23922101

SCHEMBL23922101

CC(C)NC(=O)CC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 2/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL5909175 0.79 MEN1 (0.52) KMT2AMEN1FAAHMAPK1TSHR
SCHEMBL23772388 0.79 MEN1 (0.55) KMT2AMEN1FAAHMAPK1TSHR
SCHEMBL25162239 0.77 TSHR (0.41) KMT2AMEN1FAAHMAPK1TSHR
SCHEMBL23772808 0.77 LMNA (0.38) KMT2AMEN1FAAHMAPK1TSHR
SCHEMBL23772835 0.77 FAAH (0.63) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL40805 0.76 MEN1 (0.50) KMT2AMEN1FAAHMAPK1TSHR
SCHEMBL3313335 0.76 MEN1 (0.50) KMT2AMEN1FAAHMAPK1TSHR
SCHEMBL27637631 0.76 NPC1 (0.37) KMT2AMEN1MAPK1TSHRCYP2C19
SCHEMBL15788961 0.76 NPC1 (0.37) KMT2AMEN1MAPK1TSHRCYP2C19
SCHEMBL7890623 0.73 MEN1 (0.43) KMT2AMEN1FAAHMAPK1TSHR

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-11149264-B2 Modified compounds and uses thereof IONIS PHARMACEUTICALS, INC. (US) 2021-10-19 US disclosed