SCHEMBL13990331

SCHEMBL13990331

CCCCCCC(C)C(=O)c1ccccc1C(=O)C(C)CCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TSHR P16473 4/20 0.49
LMNA P02545 2/20 0.49
CA1 P00915 2/20 0.48
CYP3A4 P08684 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
ACE2 Q9BYF1 1/20 0.44
NAAA Q02083 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL11368083 0.94 ALDH1A1 (0.49) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL9717253 0.90 NAAA (0.54) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL28192977 0.90 NAAA (0.54) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL15660791 0.88 CNR2 (0.55) ALDH1A1SLC6A3KMT2AL3MBTL1
SCHEMBL15658051 0.88 CNR2 (0.55) ALDH1A1SLC6A3KMT2AL3MBTL1
SCHEMBL15659861 0.88 CNR2 (0.55) ALDH1A1SLC6A3KMT2AL3MBTL1
SCHEMBL15661038 0.88 CNR2 (0.55) ALDH1A1SLC6A3KMT2AL3MBTL1
SCHEMBL15660535 0.85 CNR2 (0.56) SLC6A3KMT2AL3MBTL1
SCHEMBL1195165 0.84 CES2 (0.51) ALDH1A1PRSS1CA1ACE2NAAA
SCHEMBL6686403 0.84 CES2 (0.51) ALDH1A1PRSS1CA1ACE2NAAA

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
US-20080306188-A1 Novel UV inhibitors and stabilizers, derived from a biomass feedstock source, for thermoplastic and thermosetting resins IMPACT COMPOSITE TECHNOLOGY, LTD. (US) 2008-12-11 US disclosed