SCHEMBL981803

SCHEMBL981803

CC(=Cc1ccccc1)OC(=O)OC(C)=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HTT P42858 1/20 0.46
FBP1 P09467 1/20 0.46
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1C1 Q04828 1/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
NR1I2 O75469 1/20 0.41

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
SCHEMBL3248323 0.88 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL756714 0.87 ALDH1A1 (0.52) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL8508933 0.84 AKR1C3 (0.52) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL27590408 0.82 MEN1 (0.51) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL20585547 0.82 AKR1C3 (0.50) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL20585548 0.82 AKR1C3 (0.50) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL6131328 0.81 AKR1C3 (0.48) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL28212447 0.81 AKR1C3 (0.48) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL7945226 0.81 TDP1 (0.49) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL28903785 0.78 ALDH1A1 (0.52) AKR1C3ALDH1A1TSHRRECQLMEN1

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-1892789-B1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2018-02-28 EP disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
CN-100563056-C Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2009-11-25 CN disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
CN-101203982-A Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2008-06-18 CN disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed