SCHEMBL2321064

SCHEMBL2321064

CCCCOC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
KAT6A Q92794 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL5931078 0.87 KDM4E (0.49) ALDH1A1GAASMN1; SMN2EGFRERBB2
SCHEMBL31096936 0.87 ALDH1A1 (0.59) ALDH1A1TSHRGAAKMT2AGLA
SCHEMBL27029697 0.85 GAA (0.51) ALDH1A1GAAKMT2AGLAL3MBTL1
SCHEMBL26645072 0.85 TBXA2R (0.54) ALDH1A1TDP1LMNASMN1; SMN2EGFR
SCHEMBL7414669 0.85 FBP1 (0.47) ALDH1A1GAAKMT2AGLAKAT6A
SCHEMBL4700005 0.84 SMN1; SMN2 (0.57) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL1957529 0.82 HRH3 (0.48) ALDH1A1GAAKMT2AGLAPKM
SCHEMBL31294122 0.82 KMT2A (0.71) ALDH1A1GAAKMT2AGLATDP1
SCHEMBL29098408 0.81 HRH3 (0.47) ALDH1A1GAAKMT2AGLAPKM
SCHEMBL27029786 0.81 GAA (0.47) ALDH1A1GAAKMT2AGLAL3MBTL1

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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
US-20060100324-A1 Polyolefin resin composition containing diacetal API CORPORATION (JP) 2006-05-11 US disclosed