SCHEMBL9870495

SCHEMBL9870495

CCCCOC(=O)c1c(C(C)OC(C)OCC)ccc2c1Cc1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
TSHR P16473 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
ACSL1 P33121 1/20 0.32
EGFR P00533 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
SCHEMBL9870715 0.92 TRPA1 (0.40) TRPA1TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9871350 0.89 TRPA1 (0.40) TRPA1TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9869691 0.89 TSHR (0.41) TRPA1TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9870673 0.89 TSHR (0.41) TRPA1TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9874547 0.89 TSHR (0.41) TRPA1TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9869831 0.88 TRPA1 (0.40) TRPA1TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9870549 0.86 ALDH1A1 (0.36) TRPA1TSHRALDH1A1CYP3A4LMNA
SCHEMBL9778623 0.85 ACSL1 (0.35) L3MBTL1ALDH1A1MAPK1HSD17B10ACSL1
SCHEMBL9869676 0.85 TRPA1 (0.39) TRPA1TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9778939 0.84 TRPA1 (0.31) TRPA1ACSL1

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-5026492-A Synergistic; improved wear resistance in internal combustion engines EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-06-25 US disclosed