SCHEMBL28063237

SCHEMBL28063237

C=CCOS(=O)(=O)c1ccccc1.CCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PARL Q9H300 1/20 0.36
PSIP1 O75475 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
RAB9A P51151 1/20 0.34
KAT6A Q92794 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33

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
Sulfuric Acid SCHEMBL11003520 0.86 TSHR (0.42) GAAPKMPARLPSIP1SMN1; SMN2
Methyl Alcohol SCHEMBL27961092 0.85 CYP3A4 (0.40) PKMPARLPSIP1SMN1; SMN2TSHR
SCHEMBL27734107 0.85 PSIP1 (0.42) GAAPARLPSIP1SMN1; SMN2CYP3A4
SCHEMBL27283551 0.84 PARL (0.43) GAAPARLPSIP1SMN1; SMN2TSHR
SCHEMBL62040 0.84 PARL (0.43) GAAPARLPSIP1SMN1; SMN2TSHR
SCHEMBL14634387 0.84 PARL (0.39) PKMPARLSMN1; SMN2TSHRCYP3A4
SCHEMBL7888603 0.83 TSHR (0.39) GAAPKMPARLSMN1; SMN2TSHR
Propene SCHEMBL28918819 0.83 PARL (0.40) GAAPARLPSIP1CYP3A4RAB9A
SCHEMBL1819057 0.83 PARL (0.42) GAAPARLPSIP1CYP3A4KAT6A
SCHEMBL11759699 0.83 PARL (0.42) GAAPARLPSIP1CYP3A4KAT6A

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
CN-105524201-B A kind of ink covering emulsion and preparation method thereof 杨康营 2018-09-18 CN disclosed
CN-105524201-A Water-based ink covering emulsion and preparation method thereof YANG KANGYING 2016-04-27 CN disclosed