SCHEMBL16673244

SCHEMBL16673244

CC(C)(CCCc1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NAAA Q02083 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.45
SLC6A3 Q01959 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL16672809 0.91 NPC1 (0.44) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL16672886 0.90 CYP1A2 (0.48) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL1784040 0.89 CYP2D6 (0.51) TDP1NPC1RAB9ACYP1A2CYP2D6
SCHEMBL263461 0.85 TDP1 (0.58) TDP1NPC1RAB9ACYP1A2CYP2D6
SCHEMBL28875160 0.84 CYP2D6 (0.51) TDP1NAAACYP1A2CYP2D6CYP2C19
SCHEMBL27559281 0.84 NAAA (0.48) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL27571279 0.83 LMNA (0.54) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL16672808 0.82 ALDH1A1 (0.42) TDP1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL16672446 0.81 NAAA (0.42) TDP1NPC1RAB9ANAAAPOLB
SCHEMBL16672444 0.81 SCN1A (0.45) TDP1NAAAPOLBSLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed