SCHEMBL4418368

SCHEMBL4418368

CC(C)(C)c1cccc(C(C)(C)C)c1OC(c1c(C(C)(C)C)cccc1C(C)(C)C)C(CO)(CO)CO.OP(O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
ALDH1A1 P00352 5/20 0.33
NR1H4 Q96RI1 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NLRP3 Q96P20 1/20 0.31
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NAMPT P43490 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
SCHEMBL4200174 1.00 CA2 (0.34) CA2ALDH1A1NR1H4GABRA1GABRB2
SCHEMBL1031459 0.95 CA2 (0.37) CA2ALDH1A1NR1H4GABRA1GABRB2
SCHEMBL1469991 0.88 NR1H4 (0.31) CA2NR1H4
SCHEMBL4418363 0.88 NR1H4 (0.31) CA2NR1H4
SCHEMBL999178 0.86 ALDH1A1 (0.35) CA2ALDH1A1GABRA1GABRB2NLRP3
Pyrophosphoric Acid SCHEMBL12980964 0.85 NR1H4 (0.31) CA2NR1H4NLRP3
SCHEMBL9249443 0.84 ALDH1A1 (0.40) CA2ALDH1A1GABRA1GABRB2NLRP3
SCHEMBL5676117 0.82
SCHEMBL27801952 0.82 MEN1 (0.31) CA2ALDH1A1TSHR
SCHEMBL313283 0.81 SMN1; SMN2 (0.36) CA2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724304-B1 FLAME-RETARDANT STYRENE RESIN COMPOSITION DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2009-05-20 EP disclosed
US-7468408-B2 Flame-retardant styrene resin composition DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2008-12-23 US disclosed
EP-1441004-B1 Halogen-free flame-retardant resin composition SHINETSU CHEMICAL CO (JP) 2008-08-13 EP disclosed
US-20070173569-A1 Flame-retardant styrene resin composition DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2007-07-26 US disclosed
EP-1724304-A1 FLAME-RETARDANT STYRENE RESIN COMPOSITION Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2006-11-22 EP disclosed
EP-1441004-A2 Halogen-free flame-retardant resin composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-07-28 EP disclosed