SCHEMBL1792178

SCHEMBL1792178

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
PIN1 Q13526 2/20 0.38
FFAR1 O14842 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
HDAC1 Q13547 1/20 0.37
RAB9A P51151 1/20 0.36
GRIA4 P48058 1/20 0.36
SRD5A2 P31213 1/20 0.36
PGD P52209 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
SCHEMBL1789857 0.81 ACP3 (0.41) NR1H4PIN1PGK1PGK2
SCHEMBL31169492 0.81 PGK1 (0.41) LMNAPIN1PGK1PGK2PGD
SCHEMBL1955317 0.78 SRC (0.48) PIN1PGK1PGK2PGD
SCHEMBL1789997 0.74 NR1H4 (0.41) NR1H4LMNASMN1; SMN2ANPEPERAP2
SCHEMBL20132840 0.74 NR4A2 (0.51) NR1H4LMNASMN1; SMN2ANPEPERAP2
SCHEMBL6262313 0.72 CA1 (0.51)
SCHEMBL1788392 0.71 PIN1 (0.40) PIN1PGK1PGK2
SCHEMBL603636 0.71 ALDH1A1 (0.36) PIN1PGK1PGK2PGD
SCHEMBL11076623 0.69 PGK1 (0.53) NR1H4LMNAANPEPERAP2PGK1
SCHEMBL28374035 0.69 FFAR1 (0.58) NR1H4SMN1; SMN2FFAR1HDAC1SRD5A2

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