SCHEMBL20846641

SCHEMBL20846641

C=NC(C)(C)C(=O)NC(CC)CO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CNR1 P21554 1/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCC3 O15438 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RIPK1 Q13546 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
SCHEMBL15355952 0.91 CA12 (0.39) LMNATDP1KDM4ECA12CA1
SCHEMBL20669502 0.85 TDP1 (0.39) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL7586491 0.85 TDP1 (0.39) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL12443569 0.79 TDP1 (0.43) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL25590146 0.79 TDP1 (0.43) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL25590147 0.79 TDP1 (0.43) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL24085943 0.77 LMNA (0.41) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL16029613 0.76 LMNA (0.40) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL6435427 0.75 RIPK1 (0.31) RIPK1
SCHEMBL6435420 0.75 RIPK1 (0.31) RIPK1

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-2658928-B1 SURFACE-MODIFIED PIGMENT PREPARATIONS BASF SE (DE) 2019-03-27 EP disclosed