SCHEMBL4956181

SCHEMBL4956181

CC(C)CCC(=O)OCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
APP P05067 1/20 0.55
ALOX5 P09917 2/20 0.55
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL4952493 0.91 TDP1 (0.60) TDP1NPC1RAB9AALDH1A1HPGD
SCHEMBL28378711 0.89 TDP1 (0.58) TDP1APPALOX5HPGDLMNA
SCHEMBL28805170 0.89 TDP1 (0.62) TDP1APPALOX5NPC1RAB9A
SCHEMBL4955881 0.87 TDP1 (0.74) TDP1APPALOX5ALDH1A1LMNA
SCHEMBL28909208 0.85 TDP1 (0.66) TDP1APPALOX5NPC1RAB9A
SCHEMBL29875826 0.84 TDP1 (0.60) TDP1ALOX5HPGDLMNAPKM
Ethyl 3-Phenylpropanoate SCHEMBL28249480 0.84 TDP1 (0.60) TDP1ALOX5LMNAPKMSMN1; SMN2
SCHEMBL22832718 0.84 TDP1 (0.81) TDP1APPALOX5NPC1RAB9A
SCHEMBL4890742 0.83 ALDH1A1 (0.58) TDP1ALDH1A1HPGDLMNATSHR
SCHEMBL114173 0.83 TDP1 (0.58) TDP1APPALOX5NPC1RAB9A

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-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
US-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed