SCHEMBL4624121

SCHEMBL4624121

CCCCCCCCCc1ccccc1OP(O)Oc1ccccc1CCCCCCCCC.OCC(CO)(CO)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
LIPG Q9Y5X9 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37

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
SCHEMBL8433693 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL28376630 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL29778064 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL8372832 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL317708 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL10348761 0.90 THRA (0.56) THRATHRBLIPGALOX5PTGS2
SCHEMBL11603459 0.87 THRA (0.55) THRATHRBLIPGALOX5PTGS2
SCHEMBL30887013 0.86 THRA (0.53) THRATHRBLIPGALOX5PTGS2
SCHEMBL29629292 0.86 THRA (0.53) THRATHRBLIPGALOX5PTGS2
SCHEMBL11227670 0.84 THRA (0.52) THRATHRBLIPGALOX5PTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1293500-B1 Method for preparation of acrylonitrile solutions of maleimides NIPPON CATALYTIC CHEM IND (JP) 2008-06-11 EP disclosed
US-6733693-B1 LOWERING THE WATER CONTENT IN THE ACRYLONITRILE SOLUTION NIPPON SHOKUBAI CO., LTD. (JP) 2004-05-11 US disclosed
EP-0768300-B1 Acrylonitrile solutions of maleimides NIPPON CATALYTIC CHEM IND (JP) 2003-05-07 EP disclosed
EP-1293500-A2 Method for preparation of acrylonitrile solutions of maleimides Nippon Shokubai Co., Ltd. (JP) 2003-03-19 EP disclosed
EP-0768300-A1 Acrylonitrile solutions of maleimides, method for preparation thereof, and acrylonitrile based copolymers obtained by use of the solutions NIPPON SHOKUBAI CO., LTD. (JP) 1997-04-16 EP disclosed