SCHEMBL28019442

SCHEMBL28019442

O=S(=O)(O)c1ccccc1C=Cc1ccccc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
NFE2L2 Q16236 3/20 0.46
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NR1H2 P55055 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL4207529 0.98 TRPA1 (0.52) TRPA1NFE2L2LMNAPPARGTDP1
SCHEMBL1557243 0.98 TRPA1 (0.52) TRPA1NFE2L2LMNAPPARGTDP1
SCHEMBL29725577 0.98 TRPA1 (0.52) TRPA1NFE2L2LMNAPPARGTDP1
SCHEMBL11882514 0.98 TRPA1 (0.52) TRPA1NFE2L2LMNAPPARGTDP1
Ammonia Solution, Strong SCHEMBL27722454 0.96 TRPA1 (0.50) TRPA1NFE2L2LMNAPPARGTDP1
Bicarbonate SCHEMBL6130587 0.93 TRPA1 (0.47) TRPA1NFE2L2LMNAPPARGTDP1
SCHEMBL9162326 0.92 TRPA1 (0.44) TRPA1NFE2L2TDP1CYP2D6HTR2A
SCHEMBL14417984 0.91 TRPA1 (0.46) TRPA1NFE2L2LMNAPPARGTDP1
SCHEMBL2754803 0.91 TRPA1 (0.46) TRPA1NFE2L2LMNAPPARGTDP1
SCHEMBL28680233 0.90 TDP1 (0.45) TRPA1NFE2L2LMNATDP1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104652015-B Processing method for white fabric 嵊州盛泰色织科技有限公司 2017-02-22 CN disclosed
CN-105037625-A Modified aluminate cement retarder and preparation method thereof UNIV CHINA PETROLEUM 2015-11-11 CN disclosed
CN-104652015-A Processing method for white fabric SUNRISE SHENGZHOU TEXTILES CO LTD 2015-05-27 CN disclosed