SCHEMBL11241900

SCHEMBL11241900

C=CC(=O)NCCS(=O)(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TGM2 P21980 5/20 0.36
HDAC1 Q13547 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
PYGL P06737 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL43157 0.98 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL11693964 0.96 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL31228415 0.96 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9635987 0.92 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Acrylic Acid SCHEMBL9637424 0.92 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL25112 0.86 ZDHHC20 (0.58) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL177994 0.86 ZDHHC20 (0.58) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL11695495 0.84 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL462110 0.84 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL2785000 0.84 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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
US-4319014-A UNDATURATED CARBOXYLIC ACID COPOLYMER WITH UNDATURATED SULFONATE COMONOMER MODIFIED BY A MERCAPTAN UNIROYAL, INC. (US) 1982-03-09 US claimed
US-3937802-A SPRAYABLE HAIR-SETTING COMPOSITION CONTAINING A SULFONATE CONTAINING HYDROPHILIC COPOLYMER SANYO CHEMICAL INDUSTRIES, LTD. (JA) 1976-02-10 US disclosed