SCHEMBL1789781

SCHEMBL1789781

CCC(C)(C)c1cc(OP(=O)(Oc2cc(C(C)(C)CC)cc(C(C)(C)CC)c2)Oc2cc(C(C)(C)CC)cc(C(C)(C)CC)c2)cc(C(C)(C)CC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL29402633 0.82 NPC1 (0.43) MAPK1CYP3A4TSHRALDH1A1TDP1
SCHEMBL1790741 0.82 NPC1 (0.43) MAPK1CYP3A4TSHRALDH1A1TDP1
SCHEMBL665660 0.81 NPC1 (0.53) CYP3A4TSHRALDH1A1TDP1POLB
SCHEMBL1790736 0.79 CYP3A4 (0.52) MAPK1CYP3A4TSHRALDH1A1TDP1
SCHEMBL780091 0.76 NPC1 (0.43) MAPK1TSHRALDH1A1TDP1POLB
SCHEMBL10181549 0.72 ALDH1A1 (0.40) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL845798 0.71 ALDH1A1 (0.50) MAPK1CYP3A4ALDH1A1POLBKMT2A
SCHEMBL1787834 0.70 MAPK1 (0.55) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL16395453 0.70 L3MBTL1 (0.41) POLBNPC1RAB9ACYP2C9
SCHEMBL27984700 0.69 NPC1 (0.38) MAPK1ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
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-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 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
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed