SCHEMBL588626

SCHEMBL588626

C=CC(=O)NNCCCO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
HDAC3 O15379 1/20 0.33
TGM2 P21980 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL588619 0.94 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5682114 0.81 ZDHHC20 (0.55) TSHRZDHHC20ZDHHC2HDAC3
SCHEMBL3262448 0.79 ZDHHC20 (0.63) TSHRZDHHC20ZDHHC2HDAC3
SCHEMBL1065204 0.77 ZDHHC20 (0.61) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL36683 0.77
SCHEMBL588815 0.77
SCHEMBL1727586 0.76
SCHEMBL29240011 0.76
Hydrochloric Acid SCHEMBL28790272 0.76 ZDHHC20 (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3696838 0.75 ZDHHC20 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed