SCHEMBL4432960

SCHEMBL4432960

O=C(O)c1ccc(O)cc1N1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
ALDH1A1 P00352 8/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
MYC P01106 1/20 0.34
PKM P14618 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 4/20 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
SCHEMBL5495749 0.79
SCHEMBL79520 0.79 KDM4E (0.36) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL7931609 0.77 CYP2C19 (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6887707 0.74 CA12 (0.48) PTPN1ALDH1A1CA12CA1CA2
SCHEMBL5576207 0.73 PKM (0.40) ALDH1A1L3MBTL1MEN1KMT2APKM
SCHEMBL9479020 0.70 MT-CO2 (0.50) ALDH1A1SMN1; SMN2ALOX5KDM4EGAA
SCHEMBL896334 0.67 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL1832039 0.67 PKM (0.38) ALDH1A1L3MBTL1MEN1KMT2APKM
SCHEMBL1834304 0.67 PKM (0.36) PTPN1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2239737 0.65 POLB (0.51) ALDH1A1L3MBTL1MEN1KMT2APKM

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