SCHEMBL17923976

SCHEMBL17923976

O=C1OC=C(c2ccccc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
PTGS1 P23219 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HTT P42858 1/20 0.33
PTGS2 P35354 5/20 0.33
ABCB11 O95342 1/20 0.33
MT-CO2 P00403 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL5236190 0.71 CFTR (0.41) KMT2AALDH1A1MAPTCFTRGOPC
SCHEMBL979881 0.71 KMT2A (0.45) KMT2APTGS1ALDH1A1MAPTKDM4E
SCHEMBL17073804 0.68 NPC1 (0.43) KMT2APTGS1ALDH1A1MAPTKDM4E
Biphenyl SCHEMBL28053336 0.64 ALDH1A1 (0.47) KMT2APTGS1ALDH1A1MAPTKDM4E
SCHEMBL29518399 0.64 NISCH (0.53) KMT2APTGS1ALDH1A1MAPTKDM4E
SCHEMBL230113 0.64 NISCH (0.53) KMT2APTGS1ALDH1A1MAPTKDM4E
SCHEMBL5533698 0.63
SCHEMBL980935 0.63 ALDH1A1 (0.41) KMT2APTGS1ALDH1A1MAPTKDM4E
SCHEMBL8906552 0.63 SIGMAR1 (0.41) KMT2AMAPTCFTRGOPCLMNA
Biphenyl SCHEMBL15657385 0.62 ALDH1A1 (0.60) KMT2AALDH1A1MAPTKDM4EMEN1

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-3051618-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-11-14 EP disclosed
US-9461334-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-10-04 US disclosed
EP-3051618-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Mitsubishi Chemical Corporation (JP) 2016-08-03 EP disclosed
US-20160211553-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-21 US disclosed