SCHEMBL3698112

SCHEMBL3698112

CC(C)CC(C)Nc1ccc(N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
THRB P10828 1/20 0.37
CASP1 P29466 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.35
CACNA1B Q00975 8/20 0.34
POLB P06746 1/20 0.32
EPHX1 P07099 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL1498732 0.84 TDP1 (0.41) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1498737 0.79 RAB9A (0.36) ALDH1A1CYP3A4MAPK1SMN1; SMN2RAB9A
SCHEMBL1133820 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL144947 0.75 ALDH1A1 (0.73) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL11476717 0.74 JAK3 (0.38) TSHRSMN1; SMN2RAB9AEPHX1LMNA
SCHEMBL11475329 0.73 ALDH1A1 (0.53) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL3688469 0.73 RAB9A (0.42) ALDH1A1SMN1; SMN2RAB9AEPHX1LMNA
SCHEMBL4492651 0.73 HRH4 (0.38) ALDH1A1CYP3A4ALOX15HSD17B10ALOX12
SCHEMBL4489912 0.71 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL8589385 0.70 ALDH1A1 (0.67) ALDH1A1CYP3A4ALOX15TSHRHIF1A

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