SCHEMBL13446384

SCHEMBL13446384

CCCCCSC1(C(=O)c2ccccc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
NAAA Q02083 1/20 0.39
CETP P11597 4/20 0.38
NR5A2 O00482 1/20 0.38
PTGS2 P35354 3/20 0.36
KCNH2 Q12809 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14418681 0.96 CES2 (0.40) CES2CES1NAAACETPNR5A2
SCHEMBL15935742 0.94 CES2 (0.41) CES2CES1NAAACETPNR5A2
SCHEMBL10571952 0.81 HDAC3 (0.40) KCNH2ALDH1A1
SCHEMBL28269795 0.75 CETP (0.55) CES2CES1NAAACETPNR5A2
SCHEMBL11622286 0.75 AKR1C1 (0.41) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL27988990 0.74 CETP (0.56) CES2CES1NAAACETPNR5A2
SCHEMBL11622294 0.72 AKR1C1 (0.39) CES2CES1ALDH1A1NPSR1MEN1
SCHEMBL28418247 0.71 CES2 (0.42) CES2CES1NAAACETPNR5A2
SCHEMBL14269719 0.71 TSHR (0.42) CES2CES1NAAACETPNR5A2
SCHEMBL14549048 0.71 CES2 (0.32) CES2CES1CETPMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2159641-A1 SURFACE TREATMENT AGENT FOR FORMING PATTERN AND PATTERN FORMING METHOD USING THE TREATMENT AGENT Fujifilm Corporation (JP) 2010-03-03 EP disclosed
EP-2003509-A2 Pattern forming method FUJIFILM Corporation (JP) 2008-12-17 EP disclosed