SCHEMBL3698113

SCHEMBL3698113

CC(C)CC(C)Nc1ccc(N)c(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL1498733 0.85 KDM4E (0.34) ALOX15
SCHEMBL1498738 0.80 IDO1 (0.35) ALOX15ALDH1A1
SCHEMBL28273169 0.76 KDM4E (0.36) ALOX15ALDH1A1
SCHEMBL3688474 0.75 ALOX15 (0.37) ALOX15ALDH1A1
SCHEMBL3692132 0.73 TDO2 (0.38) ALDH1A1
SCHEMBL4482096 0.73 TDO2 (0.38) ALDH1A1
SCHEMBL247757 0.73 TDO2 (0.38) ALDH1A1
SCHEMBL1498815 0.70 TLR8 (0.37) ALOX15
SCHEMBL1498710 0.69 CNR1 (0.38) ALDH1A1
SCHEMBL1498685 0.68 MAPT (0.44) ALOX15ALDH1A1CYP3A4ALOX12MAPK1

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
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP disclosed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed