SCHEMBL6239615

SCHEMBL6239615

CCCc1ccc(OP(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PLK1 P53350 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL1159793 0.88 CA1 (0.48) THRBALDH1A1KMT2APLK1L3MBTL1
SCHEMBL163338 0.86 ALDH1A1 (0.53) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL28530049 0.85 ALDH1A1 (0.56) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL11674765 0.85 ALDH1A1 (0.56) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL27854859 0.85 ALDH1A1 (0.56) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL11365405 0.85 ALDH1A1 (0.56) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL8166445 0.85 ALDH1A1 (0.56) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL8802114 0.85 ALDH1A1 (0.56) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL366671 0.85 ALDH1A1 (0.56) THRBLPLLIPGALDH1A1KMT2A
SCHEMBL11445566 0.83 ALDH1A1 (0.55) THRBLPLLIPGALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005010028-A1 ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2005-02-03 WO claimed
EP-3320060-A1 COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES ExxonMobil Research and Engineering Company (US) 2018-05-16 EP disclosed
WO-2017007670-A1 COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-01-12 WO disclosed
WO-2005010028-A1 ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2005-02-03 WO disclosed
EP-0097152-A4 POLYPHENYLENE ETHER PHOSPHITES. GEN ELECTRIC (US) 1984-04-17 EP disclosed
EP-0097152-A1 POLYPHENYLENE ETHER PHOSPHITES GENERAL ELECTRIC COMPANY (US) 1984-01-04 EP disclosed
WO-1983002117-A1 POLYPHENYLENE ETHER PHOSPHITES GEN ELECTRIC (US) 1983-06-23 WO disclosed