SCHEMBL8577651

SCHEMBL8577651

CC(C)CCN(C[C@H](O)CCc1ccccc1)C(=O)N(N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
TSHR P16473 1/20 0.35
DPP4 P27487 1/20 0.35
ABCB1 P08183 2/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8505244 0.92 ALDH1A1 (0.40) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8502790 0.80 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL7547811 0.77 LMNA (0.45) MEN1KMT2AHTTLMNAPKM
SCHEMBL8502371 0.77 OPRK1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL8504370 0.74 AOC3 (0.42) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL7398172 0.73 HPGD (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1529633 0.73 KMT2A (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8648237 0.70 AOC3 (0.43) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8502297 0.70 AOC3 (0.43) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL28466070 0.70 HDAC1 (0.51) MEN1KMT2AL3MBTL1LPAR1LPAR5

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-5750648-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1998-05-12 US disclosed