SCHEMBL3630665

SCHEMBL3630665

Cc1ccc(O)cc1S(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
TSHR P16473 1/20 0.40
CYTH2 Q99418 1/20 0.40
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
ACLY P53396 1/20 0.37
HSD17B2 P37059 1/20 0.36
IDH1 O75874 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3633522 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL3630043 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL7526406 0.84 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL7646219 0.84 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL3232763 0.84 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL7613315 0.82 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL3625563 0.81 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL2140261 0.76 ALDH1A1 (0.53) L3MBTL1ATMALDH1A1GAATSHR
SCHEMBL2959369 0.76 NR3C1 (0.51) L3MBTL1ATMLMNASMN1; SMN2
SCHEMBL990146 0.76 NR3C1 (0.51) L3MBTL1ATMLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180310-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2017-06-21 EP disclosed
EP-3180311-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2017-06-21 EP disclosed
WO-2016023772-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2016-02-18 WO disclosed
WO-2016023732-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2016-02-18 WO disclosed
EP-2142494-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2010-01-13 EP disclosed
WO-2008116714-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2008-10-02 WO disclosed