SCHEMBL21470321

SCHEMBL21470321

CCCCOC(=O)/C(C#N)=C/C=C/N(CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
CYP2C9 P11712 2/20 0.38
MEN1 O00255 5/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ATM Q13315 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
USP2 O75604 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
DNM1 Q05193 2/20 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
SCHEMBL4547569 0.92 TP53 (0.40) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL15761684 0.90 TP53 (0.40) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL17576166 0.90 TP53 (0.41) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL12292872 0.88 MEN1 (0.41) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL14261087 0.88 MEN1 (0.41) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL12294062 0.88 MEN1 (0.41) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL12292861 0.88 MEN1 (0.41) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL13609916 0.88 MEN1 (0.41) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL23583823 0.88 CYP2C9 (0.38) TP53CYP2C9MEN1MAPTKMT2A
SCHEMBL12294382 0.88 CYP2C9 (0.38) TP53CYP2C9MEN1MAPTKMT2A

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-3407862-B1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND AN OILY PHASE COMPRISING AT LEAST ONE POLYALKYLENE GLYCOL. OREAL (FR) 2019-10-16 EP disclosed