SCHEMBL23969235

SCHEMBL23969235

CC(C)COC(=O)CNC(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CHRM1 P11229 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 3/20 0.36
EPHX2 P34913 1/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL3125309 0.82 CHRM1 (0.50) KMT2ACHRM1POLBKDM4ERAB9A
SCHEMBL8189390 0.78 KMT2A (0.43) KMT2AMEN1HPGDPOLBRAB9A
SCHEMBL3768429 0.74 KMT2A (0.55) KMT2AMEN1HPGDPOLBRAB9A
SCHEMBL7862569 0.74 KMT2A (0.47) KMT2APOLBKDM4EEPHX2MMP1
SCHEMBL5407237 0.72 MEN1 (0.52) KMT2AMEN1HPGDPOLBRAB9A
SCHEMBL7863949 0.72 KMT2A (0.48) KMT2APOLBKDM4EEPHX2ALDH1A1
SCHEMBL17685528 0.71 MEN1 (0.38) KMT2AMEN1HPGDPOLBRAB9A
SCHEMBL7342669 0.71 L3MBTL1 (0.49) KMT2AMEN1EPHX2ALDH1A1L3MBTL1
SCHEMBL125438 0.70 TSHR (0.42) POLBKDM4ERAB9AEPHX2ALDH1A1
SCHEMBL7338141 0.70 KMT2A (0.45) KMT2ARAB9AEPHX2NPC1ALDH1A1

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-3904357-A1 SPIRO COMPOUND AND MEDICAL USES THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2021-11-03 EP disclosed