SCHEMBL15527616

SCHEMBL15527616

CCCCCCCCCCCCP(C=C(C)c1ccccc1)CCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
NAAA Q02083 1/20 0.41
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
ATG4B Q9Y4P1 7/20 0.35
PLA2G1B P04054 6/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL15364808 0.86 CES2 (0.45) CES2CES1NAAAPTGS2TDP1
SCHEMBL15364144 0.86 CES2 (0.45) CES2CES1NAAAPTGS2TDP1
SCHEMBL15527231 0.86 KDM1A (0.37) CES2CES1PTGS2
SCHEMBL15527470 0.78 KDM1A (0.39) CES2CES1
SCHEMBL16167155 0.74 TBXAS1 (0.47) CES2CES1NAAAPTGS2TDP1
SCHEMBL16167208 0.74 TBXAS1 (0.47) CES2CES1NAAAPTGS2TDP1
SCHEMBL16167375 0.74 TBXAS1 (0.47) CES2CES1NAAAPTGS2TDP1
SCHEMBL16167374 0.74 TBXAS1 (0.47) CES2CES1NAAAPTGS2TDP1
SCHEMBL16167083 0.74 TBXAS1 (0.47) CES2CES1NAAAPTGS2TDP1
SCHEMBL16167372 0.74 TBXAS1 (0.47) CES2CES1NAAAPTGS2TDP1

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
EP-2844678-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY Bridgestone Corporation (JP) 2015-03-11 EP disclosed
WO-2013166124-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORPORATION (JP) 2013-11-07 WO disclosed