SCHEMBL17812744

SCHEMBL17812744

CCCCCCCCCCCCC1CCCCC1(C(=O)OOCC)C(=O)OOCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRCP P42785 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CCR2 P41597 2/20 0.32
TSHR P16473 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL27812725 0.80 TDP1 (0.39) NAAATDP1ALDH1A1PRCPS1PR3
SCHEMBL28455296 0.76 GAA (0.39) NAAATSHR
SCHEMBL28336960 0.74 GAA (0.39) NAAATDP1TSHR
SCHEMBL28875040 0.73 TDP1 (0.44) NAAATDP1ALDH1A1PRCP
SCHEMBL10444913 0.72 CYP4F2 (0.45) ALDH1A1POLBCYP4F2CYP4A11
SCHEMBL28662943 0.70 TDP1 (0.37) TDP1ALDH1A1TSHR
SCHEMBL21806007 0.69 NAAA (0.36) NAAATDP1
SCHEMBL31405356 0.68 ARG1 (0.37) NAAATDP1
SCHEMBL14697385 0.68 ALOX5 (0.36) NAAACCR2
SCHEMBL16652985 0.68 ALOX5 (0.36) NAAACCR2

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-9365715-B2 Thermoplastic elastomer composition and method for the production thereof STYROLUTION EUROPE GMBH (DE) 2016-06-14 US disclosed