SCHEMBL588619

SCHEMBL588619

C=CC(=O)NNCCCCO

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TGM2 P21980 1/20 0.33
HDAC3 O15379 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
SCHEMBL588626 0.94 TSHR (0.39) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1
SCHEMBL3262448 0.82 ZDHHC20 (0.63) ZDHHC20ZDHHC2TSHRHDAC3
SCHEMBL5682114 0.79 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRHDAC3
SCHEMBL155436 0.78 ZDHHC20 (0.64) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1
SCHEMBL3696838 0.77 ZDHHC20 (0.37) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1
SCHEMBL24652920 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1
SCHEMBL3775886 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1
SCHEMBL28562520 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1
SCHEMBL442128 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1
SCHEMBL29257670 0.77 ZDHHC20 (0.68) ZDHHC20ZDHHC2TSHRTDP1ALDH1A1

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