SCHEMBL9068591

SCHEMBL9068591

O=C1CCCC(O)CN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 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
SCHEMBL4512808 0.80 APEX1 (0.36) ALDH1A1HSD11B1ADORA3LMNA
SCHEMBL206785 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1PKM
SCHEMBL4500488 0.74 MEN1 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1PKM
SCHEMBL4518124 0.73 MEN1 (0.42) MEN1KMT2AGAASMN1; SMN2L3MBTL1
SCHEMBL1896319 0.71 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9068592 0.62 APEX1 (0.36) GAAAKR1C3
SCHEMBL9068590 0.60 L3MBTL1 (0.36) MEN1KMT2AL3MBTL1CHRNB2CHRNB4
SCHEMBL6639799 0.60 HSD11B1 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL31655180 0.59 KMT2A (0.38) MEN1KMT2AALDH1A1CYP2C9CHRNB2
SCHEMBL26623315 0.59 NOTUM (0.33) HSD11B1

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-8188299-B2 Acrylate derivatives, alcohol derivatives, and method for producing them KURARAY CO., LTD. (JP) 2012-05-29 US disclosed