SCHEMBL6942856

SCHEMBL6942856

Oc1[c]c2ccccc2cc1-c1ccccc1.Oc1[c]c2ccccc2cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ALOX5 P09917 1/20 0.39
BCL2L1 Q07817 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
MAOB P27338 1/20 0.37
RAB9A P51151 1/20 0.37
PGR P06401 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 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
SCHEMBL10670045 1.00 BACE1 (0.45) BACE1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7200530 0.89 ESR2 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL667985 0.78 ALDH1A1 (0.38) BACE1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6605331 0.77 GPR84 (0.40) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL1322927 0.75 TRPM4 (0.41) BACE1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1193247 0.75 TRPM4 (0.41) BACE1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9640308 0.75 IDO1 (0.43) ALOX5HSD17B10HSD17B1HSD17B2ESR2
SCHEMBL10501308 0.73 BACE1 (0.40) BACE1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9857390 0.73 RAB9A (0.40) BACE1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6400913 0.73 ESR2 (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268584-A4 COMPOSITIONS AND METHODS FOR SELECTIVELY BINDING AMINES OR AMINO ACID ENANTIOMERS OVER THEIR COUNTER-ENANTIOMERS IBC ADVANCED TECH INC (US) 2003-06-18 EP disclosed
EP-1268584-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY BINDING AMINES OR AMINO ACID ENANTIOMERS OVER THEIR COUNTER-ENANTIOMERS IBC ADVANCED TECHNOLOGIES, INC. (US) 2003-01-02 EP disclosed
WO-2001068729-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY BINDING AMINES OR AMINO ACID ENANTIOMERS OVER THEIR COUNTER-ENANTIOMERS IBC ADVANCED TECHNOLOGIES, INC. (US) 2001-09-20 WO disclosed