SCHEMBL21474532

SCHEMBL21474532

CCCCCCCCOC/C(C#N)=C\C=C\N(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
EPHX2 P34913 1/20 0.33
LSS P48449 1/20 0.32
USP2 O75604 1/20 0.32
CES1 P23141 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
SCHEMBL12755380 0.80 DNM1 (0.33) CES2MEN1KMT2ACES1
SCHEMBL12755381 0.78 ALDH1A1 (0.31)
SCHEMBL12292862 0.71 CYP2C9 (0.47) MEN1KMT2AMAPTUSP2
SCHEMBL2370992 0.71 CYP2C9 (0.47) MEN1KMT2AMAPTUSP2
SCHEMBL2370993 0.71 CYP2C9 (0.47) MEN1KMT2AMAPTUSP2
SCHEMBL28240856 0.67 CES2 (0.50) CES2ZDHHC20HTTMEN1THRB
Trimethylammonium SCHEMBL2438928 0.62 THRB (0.61) CES2HTTMEN1THRBKMT2A
Water SCHEMBL18302915 0.62 THRB (0.67) CES2HTTMEN1THRBKMT2A
Water SCHEMBL20379492 0.62 THRB (0.67) CES2HTTMEN1THRBKMT2A
Water SCHEMBL11776352 0.62 THRB (0.67) CES2HTTMEN1THRBKMT2A

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-2683351-B1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2019-10-16 EP disclosed