SCHEMBL27519982

SCHEMBL27519982

[2H]CC=C1C(=O)OC(=O)C1=CCC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TRPA1 O75762 1/20 0.30

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
SCHEMBL253699 0.85 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1
SCHEMBL19204429 0.85 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1
SCHEMBL28812164 0.80
SCHEMBL28623282 0.75 TRPA1 (0.43) ALDH1A1TSHRMAPK1TRPA1
SCHEMBL6666735 0.69 TRPA1 (0.42) ALDH1A1TRPA1
SCHEMBL18458101 0.67 ALOX15 (0.32) ALDH1A1TSHR
SCHEMBL27267330 0.67 TRPA1 (0.47) ALDH1A1TSHRMAPK1TRPA1
SCHEMBL10412248 0.63
SCHEMBL27442791 0.62 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1TRPA1
SCHEMBL27572070 0.61 TYR (0.50) ALDH1A1TSHR

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
CN-1229476-C Lubricant containing molybdenum and polymeric dispersant ETHYL CO (US) 2005-11-30 CN claimed
CN-1356385-A Lubricant containing molybdenum and polymeric dispersant ETHYL CO (US) 2002-07-03 CN claimed