SCHEMBL4432972

SCHEMBL4432972

O=C(O)c1ccc(O)c(S(=O)(=O)O)c1N1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.38
CA1 P00915 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
CA2 P00918 4/20 0.34
PIM3 Q86V86 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
SCN2A Q99250 1/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32

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
SCHEMBL6249309 0.76 KDM4E (0.33) ALDH1A1KDM4ECA1CA12CA9
SCHEMBL6578197 0.73 CA12 (0.36) ALDH1A1HSD17B10CYP2D6CA1CA12
SCHEMBL27262586 0.72 SELL (0.57) ALDH1A1KDM4EHSD17B10HPGDCYP2D6
SCHEMBL896338 0.71 CA12 (0.36) ALDH1A1HSD17B10CA1CA12CA9
SCHEMBL1832044 0.71 ALB (0.43) ALDH1A1KDM4ECA1CA12CA9
SCHEMBL1834310 0.71 CA12 (0.41) ALDH1A1KDM4EHSD17B10HPGDCA1
SCHEMBL27653713 0.71 SELL (0.55) ALDH1A1KDM4EHSD17B10HPGDCYP2D6
SCHEMBL16767652 0.70 ERN1 (0.33) CA1CA12CA9CA2
SCHEMBL27572751 0.69 SELL (0.48) ALDH1A1KDM4EHSD17B10HPGDCYP2D6
SCHEMBL20837977 0.69 CA12 (0.42) ALDH1A1KDM4EHSD17B10HPGDCA1

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-7632816-B2 Treatment of Alzheimer amyloid deposition NEW YORK UNIVERSITY (US) 2009-12-15 US disclosed
US-20040214774-A1 Prevention and treatment of Alzheimer amyloid deposition NEW YORK UNIVERSITY 2004-10-28 US disclosed