SCHEMBL14153992

SCHEMBL14153992

CCC(C)(C)C(=O)NCCNC(=O)C(C)(C)CC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.52
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
EPHX1 P07099 2/20 0.39
CNR1 P21554 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
CA3 P07451 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR2 P41597 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL12334724 0.91 RIPK1 (0.46) RIPK1DRD2DRD4EPHX1CNR1
SCHEMBL14486557 0.91 RIPK1 (0.46) RIPK1DRD2DRD4EPHX1CNR1
SCHEMBL5021618 0.90 RIPK1 (0.48) RIPK1DRD2DRD4EPHX1CNR1
SCHEMBL13450761 0.90 EPHX1 (0.50) RIPK1DRD2DRD4EPHX1POLB
SCHEMBL4546721 0.88 EPHX1 (0.53) RIPK1DRD2DRD4EPHX1POLB
SCHEMBL9923566 0.88 CNR1 (0.49) RIPK1DRD2DRD4EPHX1CNR1
SCHEMBL14134865 0.88 EPHX1 (0.53) RIPK1DRD2DRD4EPHX1POLB
SCHEMBL7779739 0.86 RIPK1 (0.46) RIPK1DRD2DRD4EPHX1CNR1
SCHEMBL26054755 0.86 RIPK1 (0.46) RIPK1DRD2DRD4EPHX1CNR1
SCHEMBL5021617 0.86 EPHX1 (0.52) RIPK1DRD2DRD4EPHX1CNR1

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-7186786-B2 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-03-06 US disclosed
US-7179872-B2 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-02-20 US disclosed