SCHEMBL6412428

SCHEMBL6412428

Cc1c(C(N)=O)ccc(O)c1Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.50
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL10397278 0.74 CSNK2A1 (0.47) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL6389902 0.73 BCAT2 (0.47) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL5952738 0.72 KDM4E (0.46) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL27620505 0.71 TP53 (0.41) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL6406532 0.71 MAPT (0.44) ALDH1A1MAPTTSHRHSD17B10MEN1
SCHEMBL23665075 0.70 ALDH1A1 (0.53) SIRT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL1018603 0.69 NNMT (0.47) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL29889389 0.69 NNMT (0.47) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL1956878 0.69 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL6937301 0.68 ALDH1A1 (0.55) SIRT1ALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050196819-A1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS PHARMACEUTICALS, INC. 2005-09-08 US disclosed
US-6887712-B1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS, INC. (US) 2005-05-03 US disclosed