SCHEMBL4576002

SCHEMBL4576002

CCOC(=O)[C@@H](C)N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
SOAT1 P35610 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3235309 0.84 TRPM8 (0.39) MEN1KMT2ATRPM8MAPTL3MBTL1
SCHEMBL28679035 0.73 ALDH1A1 (0.37) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL28679034 0.73 ALDH1A1 (0.37) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL4730706 0.72 ALDH1A1 (0.44) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL2052140 0.72 SRD5A2 (0.33) MEN1KMT2AMAPTHTT
SCHEMBL16468178 0.72 SRD5A2 (0.33) MEN1KMT2AMAPTHTT
SCHEMBL12332811 0.71 MAPT (0.53) MEN1KMT2AMAPT
SCHEMBL15200245 0.71 MAPT (0.53) MEN1KMT2AMAPT
SCHEMBL1286694 0.71 MAPT (0.53) MEN1KMT2AMAPT
SCHEMBL15199107 0.70 HSD11B1 (0.34) MEN1KMT2APOLB

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-2008040451-A1 COSMETIC OR DERMATOLOGICAL COMPOSITIONS WITH A CONTENT OF 2-ISOPROPYL-5- METHYL-CYCLOHEXANCARBONYL-D-ALANINE ETHYL ESTER AND ONE OR MORE ANTIOXIDANTS BEIERSDORF AG (DE) 2008-04-10 WO disclosed