SCHEMBL451894

SCHEMBL451894

NC(=O)C=Cc1ccc(Cc2ccc(C=CC(N)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.56
TBXAS1 P24557 2/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
ESR1 P03372 1/20 0.44
PTGS2 P35354 2/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
MAOB P27338 1/20 0.44
GLO1 Q04760 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
HDAC2 Q92769 3/20 0.43
PELI1 Q96FA3 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4776134 0.93 TBXAS1 (0.55) HDAC8TBXAS1ALDH1A1ESR1PTGS2
SCHEMBL1450230 0.87 F3 (0.52) HDAC8ALDH1A1ESR1PTGS2AKR1B10
SCHEMBL29244493 0.86 HDAC8 (0.59) HDAC8KDM4ENPC1ALDH1A1HPGD
SCHEMBL29244494 0.86 HDAC8 (0.59) HDAC8KDM4ENPC1ALDH1A1HPGD
SCHEMBL27339779 0.86 KDM4E (0.46) HDAC8KDM4ENPC1ALDH1A1HPGD
SCHEMBL27406953 0.86 KDM4E (0.46) HDAC8KDM4ENPC1ALDH1A1HPGD
SCHEMBL2225734 0.84 PTGS1 (0.54) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL8153855 0.84 PTGS1 (0.54) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL28380634 0.82 CYP4F2 (0.51) HDAC8KDM4ENPC1ALDH1A1HPGD
SCHEMBL11164496 0.81 KDM4E (0.46) HDAC8KDM4ENPC1ALDH1A1HPGD

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
US-8470901-B2 Organic aerogel and composition and method for manufacturing the organic aerogel SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-06-25 US claimed
US-20120064287-A1 AEROGEL COMPOSITE AND METHOD OF MANUFACTURING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-03-15 US claimed
US-20110071231-A1 ORGANIC AEROGEL AND COMPOSITION AND METHOD FOR MANUFACTURING THE ORGANIC AEROGEL SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-24 US claimed
US-8470901-B2 Organic aerogel and composition and method for manufacturing the organic aerogel SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-06-25 US disclosed
US-20120064287-A1 AEROGEL COMPOSITE AND METHOD OF MANUFACTURING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-03-15 US disclosed
US-20110071231-A1 ORGANIC AEROGEL AND COMPOSITION AND METHOD FOR MANUFACTURING THE ORGANIC AEROGEL SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-24 US disclosed