SCHEMBL2769876

SCHEMBL2769876

C=CC(=O)NCC(C(C)S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
TGM2 P21980 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
SCHEMBL11694184 0.84 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL687556 0.80 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28479385 0.79 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
Sulfuric Acid SCHEMBL182294 0.78 CYP2D6 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
Monoethanolamine SCHEMBL11691043 0.76 TSHR (0.35) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28384050 0.76 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17171617 0.76 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9399860 0.74 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL23888730 0.74 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28300 0.74 ZDHHC20 (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348831-B1 Water-microsphere suspensions for use in well cements HALLIBURTON ENERGY SERV INC (US) 2010-04-14 EP claimed