SCHEMBL28115708

SCHEMBL28115708

C=Cc1cccc(C)c1S(=O)(=O)O.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ACHE P22303 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ESR2 Q92731 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NT5E P21589 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
SCHEMBL167674 0.98 SLC9A1 (0.37) SLC9A1TDP1ALDH1A1TSHRCA12
Styrene SCHEMBL9742643 0.89 TSHR (0.42) SLC9A1TDP1ALDH1A1TSHRCA12
Methacrylic Acid SCHEMBL10603125 0.88 SLC9A1 (0.35) SLC9A1TDP1ALDH1A1TSHRCA12
SCHEMBL10714071 0.86 TDP1 (0.60) SLC9A1TDP1ALDH1A1TSHRCA12
SCHEMBL1355486 0.85 TDP1 (0.43) SLC9A1TDP1ALDH1A1TSHRKDM4E
SCHEMBL8973827 0.83 ALDH1A1 (0.54) TDP1ALDH1A1TSHRCA12CA1
SCHEMBL11076120 0.80 ALDH1A1 (0.42) TDP1ALDH1A1TSHRCA1CA2
SCHEMBL28249563 0.80 CA1 (0.41) SLC9A1ALDH1A1TSHRCA12CA1
SCHEMBL2543853 0.79 TTR (0.40) SLC9A1TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7637020 0.79 TDP1 (0.36) TDP1ALDH1A1TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106133009-B Second level suspending agent for suspension polymerization 辛色姆(英国)有限公司 2019-04-30 CN disclosed
CN-106957394-A A kind of polycarboxylic-acid hyper-dispersant and its preparation method and application 芜湖弘马新材料有限公司 2017-07-18 CN disclosed
CN-106188424-A A kind of preparation method of the special slow-setting polycarboxylic acid water reducing agent of alpha type high-strength gypsum 芜湖弘马新材料有限公司 2016-12-07 CN disclosed
CN-104628942-B A kind of acrylamide copolymer and its preparation method and application SINOPEC CORP. (CN) 2016-11-30 CN disclosed