SCHEMBL6558970

SCHEMBL6558970

ICC#COc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
APP P05067 1/20 0.36
LTA4H P09960 2/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.35
KCNH2 Q12809 2/20 0.34
HTR1B P28222 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL9155898 0.77 TAAR1 (0.37) KCNA3TAAR1ALDH1A1RECQLLTA4H
SCHEMBL5919330 0.77 CYP1A2 (0.46) KCNA3TAAR1LTA4HTSHRCYP2C9
SCHEMBL10534542 0.77 CHRNB2 (0.39) KCNA3ALDH1A1LTA4HTSHRKCNH2
SCHEMBL9421959 0.77 LTA4H (0.50) KCNA3TAAR1ALDH1A1RECQLAPP
SCHEMBL29151789 0.76 TP53 (0.37) KCNA3LTA4HTSHRKCNH2DRD4
SCHEMBL8029428 0.74 LTA4H (0.38) KCNA3LTA4HTSHRKCNH2LMNA
SCHEMBL14579482 0.73 LTA4H (0.41) KCNA3TAAR1ALDH1A1RECQLAPP
SCHEMBL10571938 0.73 KCNH2 (0.50) KCNA3TAAR1ALDH1A1RECQLAPP
SCHEMBL5704170 0.72 MEN1 (0.34) KCNA3LTA4HTSHRCA4CYP2C9
SCHEMBL2190465 0.71 APP (0.52) KCNA3TAAR1ALDH1A1RECQLAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957684-B1 MICROEMULSION AND METHOD TROY TECHNOLOGY CORP INC (US) 2004-03-17 EP claimed