SCHEMBL4401029

SCHEMBL4401029

CC(C)(C)OC(=O)N(C(=O)NCc1ccccc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
EPHX1 P07099 1/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.46
USP2 O75604 2/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL27884072 0.79 AGER (0.54) KMT2AL3MBTL1
SCHEMBL5713017 0.77 L3MBTL1 (0.40) KMT2AALDH1A1L3MBTL1FKBP1AATM
SCHEMBL13900757 0.77 ALDH1A1 (0.53) LMNAHTTMAPTNPSR1HPGD
SCHEMBL4193440 0.76 CA12 (0.47) LMNAHPGDRAB9ASMN1; SMN2CA12
SCHEMBL10207431 0.76 HSD11B1 (0.56) KMT2AL3MBTL1
SCHEMBL4246502 0.75 CA12 (0.46) LMNAHPGDRAB9ASMN1; SMN2CA12
SCHEMBL9257531 0.73 ALDH1A1 (0.59) LMNAHTTMAPTNPSR1HPGD
SCHEMBL5435739 0.73 L3MBTL1 (0.52) NPSR1HPGDKMT2AUSP2HSD17B10
Formic Acid SCHEMBL28071336 0.72 HSD11B1 (0.53) KMT2AL3MBTL1
SCHEMBL3835799 0.71 MEN1 (0.55) LMNAMAPTRAB9ANPC1KMT2A

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-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed