SCHEMBL3700879

SCHEMBL3700879

CCCC(=O)Cc1cc(O)cc(=O)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GLA P06280 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B3 P37058 3/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPK1 P28482 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
IAPP P10997 1/20 0.35
AKR1B1 P15121 2/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
GRB2 P62993 1/20 0.35
MCL1 Q07820 2/20 0.33
MAPT P10636 1/20 0.33
UBE2N P61088 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3701186 0.89 ELANE (0.41) KMT2AGLAMEN1CYP3A4HSD17B3
SCHEMBL12285606 0.88 ELANE (0.43) KMT2AGLAMEN1CYP3A4HSD17B3
SCHEMBL30302271 0.79 CYP3A4 (0.48) KMT2AGLAMEN1CYP3A4HSD17B3
SCHEMBL2314356 0.79 MEN1 (0.42) KMT2AGLAMEN1CYP3A4ALDH1A1
SCHEMBL3700781 0.77 MEN1 (0.50) KMT2AGLAMEN1CYP3A4HSD17B3
SCHEMBL6912133 0.76 CYP3A4 (0.54) KMT2AGLAMEN1CYP3A4HSD17B3
SCHEMBL23922349 0.75 ALDH1A1 (0.39) KMT2AGLAMEN1CYP3A4HSD17B3
SCHEMBL6916622 0.74 ALDH1A1 (0.53) KMT2AGLAMEN1CYP3A4HSD17B3
SCHEMBL563659 0.72 ALOX15 (0.54) KMT2AGLAMEN1CYP3A4ALDH1A1
Benzene SCHEMBL27508653 0.72 CYP3A4 (0.48) KMT2AGLAMEN1CYP3A4HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200325508-A1 GENES AND PROTEINS FOR AROMATIC POLYKETIDE SYNTHESIS UNIVERSITY OF SASKATCHEWAN (CA) 2020-10-15 US disclosed
US-10718000-B2 Genes and proteins for aromatic polyketide synthesis NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2020-07-21 US disclosed
US-20190169661-A1 GENES AND PROTEINS FOR AROMATIC POLYKETIDE SYNTHESIS UNIVERSITY OF SASKATCHEWAN (CA) 2019-06-06 US disclosed
US-20170233779-A1 GENES AND PROTEINS FOR AROMATIC POLYKETIDE SYNTHESIS UNIVERSITY OF SASKATCHEWAN (CA) 2017-08-17 US disclosed
US-20170233779-A1 GENES AND PROTEINS FOR AROMATIC POLYKETIDE SYNTHESIS UNIVERSITY OF SASKATCHEWAN (CA) 2017-08-17 US disclosed
US-9611460-B2 Genes and proteins for aromatic polyketide synthesis NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-04-04 US disclosed
US-9611460-B2 Genes and proteins for aromatic polyketide synthesis NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-04-04 US disclosed
US-20130067619-A1 GENES AND PROTEINS FOR AROMATIC POLYKETIDE SYNTHESIS UNIVERSITY OF SASKATCHEWAN (CA) 2013-03-14 US disclosed
US-20130067619-A1 GENES AND PROTEINS FOR AROMATIC POLYKETIDE SYNTHESIS UNIVERSITY OF SASKATCHEWAN (CA) 2013-03-14 US disclosed
US-20120122180-A1 INCORPORATION OF TYPE III POLYKETIDE SYNTHASES INTO MULTIDOMAIN PROTEINS OF THE TYPE I AND III POLYKETIDE SYNTHASE AND FATTY ACID SYNTHASE FAMILIES SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2012-05-17 US disclosed
US-20080233628-A1 Incorporation of type III polyketide synthases into multidomain proteins of the type I and III polyketide synthase and fatty acid synthase families THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2008-09-25 US disclosed