SCHEMBL6467025

SCHEMBL6467025

C=CCC(=CNCc1ccccc1)CC=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
IDO1 P14902 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A1 P22736 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL28471030 0.78 ADH1B (0.50) ADH1BADH1CADH1AADH7IDO1
SCHEMBL28474538 0.76 ADH1B (0.47) ADH1BADH1CADH1AADH7IDO1
SCHEMBL248336 0.74 ADH1B (0.60) ADH1BADH1CADH1AADH7IDO1
SCHEMBL627479 0.74 ADH1B (0.54) ADH1BADH1CADH1AADH7IDO1
SCHEMBL4397369 0.74 ADH1B (0.54) ADH1BADH1CADH1AADH7IDO1
SCHEMBL28473863 0.73 EPHX2 (0.47) ADH1BADH1CADH1AADH7IDO1
SCHEMBL18835308 0.73 ADH1B (0.44) ADH1BADH1CADH1AADH7IDO1
SCHEMBL2855167 0.73 ADH1B (0.58) ADH1BADH1CADH1AADH7IDO1
Hydrochloric Acid SCHEMBL1228267 0.73 ADH1B (0.58) ADH1BADH1CADH1AADH7IDO1
Bromide SCHEMBL27585090 0.73 ADH1B (0.58) ADH1BADH1CADH1AADH7IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174187-B1 BIPOLAR MEMBRANE TOKUYAMA CORP (JP) 2005-11-23 EP disclosed
US-6596137-B2 Bipolar membrane TOKOYAMA CORPORATION (JP) 2003-07-22 US disclosed
US-20030006138-A1 Bipolar membrane TOKUYAMA CORPORATION (JP) 2003-01-09 US disclosed
EP-1174187-A1 BIPOLAR MEMBRANE TOKUYAMA CORPORATION (JP) 2002-01-23 EP disclosed
EP-0459820-B1 Bipolar membrane and method for its production TOKUYAMA CORP (JP) 1997-07-30 EP disclosed
US-5221455-A A heavy metal-neutralized anionic polymer bonded to a cationic polymer; electrolysis of water; nonbubbling or -foaming at the interface TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1993-06-22 US disclosed
EP-0459820-A2 Bipolar membrane and method for its production TOKUYAMA CORPORATION (JP) 1991-12-04 EP disclosed