SCHEMBL1705025

SCHEMBL1705025

CCCCCCCCCCCCCC(=O)C(C)C#N

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.53
MEN1 O00255 1/20 0.50
FAAH O00519 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
CES1 P23141 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL3695983 0.92 CES1 (0.43) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL7131338 0.82 CES2 (0.55) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL10401052 0.82 CES2 (0.55) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL11036678 0.82 CES2 (0.55) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL9813357 0.79 CES2 (0.61) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL3108058 0.79 CES2 (0.61) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL5708415 0.79 CES2 (0.61) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL2352905 0.79 CES2 (0.61) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL3108046 0.79 CES2 (0.61) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL17504241 0.79 CES2 (0.61) CES2MEN1FAAHMAPK1KMT2A

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-2173350-B1 STEREOSELECTIVE PROCESS FOR PREPARING PURINE DIOXOLANE NUCLEOSIDE DERIVATIVES RFS PHARMA LLC (US) 2012-04-18 EP claimed