SCHEMBL27745561

SCHEMBL27745561

CCCCCCCCCOC(=O)C(C)=C(CCCCCCCCC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
LMNA P02545 2/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 4/20 0.47
NAAA Q02083 1/20 0.46

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
SCHEMBL27545287 0.89 TSHR (0.50) TSHRLMNACES2CES1ALDH1A1
SCHEMBL27605338 0.86 CES2 (0.53) CES2CES1PTGS2NAAA
SCHEMBL20602168 0.82 CES2 (0.49) TSHRLMNACES2CES1ALDH1A1
SCHEMBL6473817 0.82 CES2 (0.58) CES2CES1PTGS2NAAA
SCHEMBL291772 0.82 CES2 (0.58) CES2CES1PTGS2NAAA
SCHEMBL238653 0.82 CES2 (0.58) CES2CES1PTGS2NAAA
SCHEMBL343138 0.82 CES2 (0.58) CES2CES1PTGS2NAAA
SCHEMBL343140 0.82 CES2 (0.58) CES2CES1PTGS2NAAA
SCHEMBL6255793 0.82 CES2 (0.58) CES2CES1PTGS2NAAA
SCHEMBL27952634 0.82 LMNA (0.51) TSHRLMNACES2CES1ALDH1A1

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
CN-101331153-A Polymer particles, process for production thereof, resin compositions containing the particles, and moldings KANEGAFUCHI CHEMICAL IND (JP) 2008-12-24 CN disclosed