SCHEMBL1789997

SCHEMBL1789997

CC(C)(C)c1ccc(C(OP(=O)(O)O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.41
HDAC1 Q13547 1/20 0.40
SRD5A2 P31213 1/20 0.39
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
MAPT P10636 1/20 0.38
PTPN5 P54829 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
GRIA4 P48058 1/20 0.36

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
SCHEMBL1789996 0.85 NR1H4 (0.39) NR1H4HDAC1LMNATYRMAPT
SCHEMBL29108863 0.81 HMGCR (0.41) PGK1PGK2
SCHEMBL25241826 0.80 HMGCR (0.41) PGK1PGK2
SCHEMBL20299546 0.80 HMGCR (0.41) PGK1PGK2
SCHEMBL20299555 0.80 HMGCR (0.41) PGK1PGK2
SCHEMBL19858472 0.80 HMGCR (0.41) PGK1PGK2
SCHEMBL1789783 0.80 HDAC8 (0.41) PTPN5PGK1PGK2
SCHEMBL1725603 0.79 TSHR (0.45) LMNAALDH1A1TSHRPGK1PGK2
SCHEMBL14076363 0.76 PGK1 (0.69) NR1H4HDAC1LMNATYRANPEP
SCHEMBL2334334 0.75 TRPV1 (0.34) HDAC1LMNAANPEPERAP2MAPT

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
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed