SCHEMBL5872644

SCHEMBL5872644

Cc1cc(C)cc(S([O])(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
RAPGEF4 Q8WZA2 5/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TPMT P51580 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL8137089 0.79 GAA (0.52) ALDH1A1TSHRRAPGEF4GAAKDM4E
SCHEMBL3507953 0.77 PTGS2 (0.41) ALDH1A1TSHRRAPGEF4GAAKDM4E
SCHEMBL6113292 0.74 RAPGEF4 (0.38) ALDH1A1TSHRRAPGEF4GAAKDM4E
SCHEMBL587103 0.74 ALDH1A1 (0.42) ALDH1A1TSHRRAPGEF4GAAKDM4E
SCHEMBL6113249 0.74 RAPGEF4 (0.37) ALDH1A1TSHRRAPGEF4GAAKDM4E
SCHEMBL6039208 0.74 TLR9 (0.37) ALDH1A1TSHRRAPGEF4GAAKDM4E
SCHEMBL8937977 0.74 LMNA (0.39) ALDH1A1TSHRRAPGEF4GAAKDM4E
SCHEMBL646278 0.74 LCK (0.46) ALDH1A1TSHRRAPGEF4KMT2ASLC1A3
SCHEMBL2005577 0.74 CA2 (0.56) ALDH1A1TSHRKDM4ECA1CA2
SCHEMBL330676 0.74 KMT2A (0.57) ALDH1A1KDM4EKMT2AMAPTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342592-B1 FUNCTIONALIZED ALKENOXYARYL OR ALKENYLARYLOXYARYL COMPOUND; SEPARATING ENANTIOMORPHS USING THREE-DIMENSIONAL NETWORKS; CHROMATOGRAPHY INSTITUT FRANCAIS DU PETROLE AND CHIRALSEP (FR) 2002-01-29 US claimed
EP-0864586-A2 Chiral compounds, synthesis and use on a support Institut Français du Pétrole (FR) 1998-09-16 EP claimed
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
US-7067640-B1 Cross-linked chiral compounds and methods of making thereof EKA CHEMICALS AB (SE) 2006-06-27 US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN disclosed
EP-0864586-B1 Chiral supports and use thereof in the preparation or separation of enantiomers INST FRANCAIS DU PETROLE (FR) 2002-04-03 EP disclosed
US-6342592-B1 FUNCTIONALIZED ALKENOXYARYL OR ALKENYLARYLOXYARYL COMPOUND; SEPARATING ENANTIOMORPHS USING THREE-DIMENSIONAL NETWORKS; CHROMATOGRAPHY INSTITUT FRANCAIS DU PETROLE AND CHIRALSEP (FR) 2002-01-29 US disclosed
EP-0864586-A2 Chiral compounds, synthesis and use on a support Institut Français du Pétrole (FR) 1998-09-16 EP disclosed
EP-0864586-A2 Chiral compounds, synthesis and use on a support Institut Français du Pétrole (FR) 1998-09-16 EP disclosed