SCHEMBL589765

SCHEMBL589765

C=CC(=O)NCN(OP(=O)(O)OCCC)OP(=O)(O)OCCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL588263 0.82 ALDH1A1 (0.38) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28638981 0.74 ZDHHC20 (0.35) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL16353777 0.70 ALDH1A1 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL4246792 0.68 TSHR (0.44) ALDH1A1TSHR
SCHEMBL21801929 0.68 ZDHHC20 (0.35) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL16353959 0.67 ZDHHC20 (0.49) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL29222825 0.67 LPAR3 (0.38) ALDH1A1
SCHEMBL3412968 0.66 TSHR (0.55) ALDH1A1TSHRMAPK1
SCHEMBL27593947 0.66 CA12 (0.36) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL27615654 0.66 TSHR (0.42) ALDH1A1TSHR

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