SCHEMBL1498733

SCHEMBL1498733

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.33
ADK P55263 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 2/20 0.30
HDAC3 O15379 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
SCHEMBL3698113 0.85 ALOX15 (0.32) ALOX15
SCHEMBL28273169 0.83 KDM4E (0.36) KDM4EGAAMAPTALOX15ADK
SCHEMBL1498738 0.81 IDO1 (0.35) KDM4EGAAMAPTALOX15IDO1
SCHEMBL247757 0.80 TDO2 (0.38) KDM4EGAAMAPTADKTDO2
SCHEMBL4482096 0.80 TDO2 (0.38) KDM4EGAAMAPTADKTDO2
SCHEMBL3692132 0.80 TDO2 (0.38) KDM4EGAAMAPTADKTDO2
SCHEMBL3688474 0.79 ALOX15 (0.37) KDM4EGAAMAPTALOX15ADK
SCHEMBL1498685 0.74 MAPT (0.44) KDM4EGAAMAPTALOX15HDAC1
SCHEMBL1498710 0.72 CNR1 (0.38)
Hydrochloric Acid SCHEMBL3502250 0.71 IDO1 (0.39) KDM4EGAAALOX15IDO1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011506452-A 2011-03-03 JP claimed
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP claimed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO claimed
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