SCHEMBL4650831

SCHEMBL4650831

CC1=Cc2ccc(N(C)C)cc2C1C(C)C1C(C)=Cc2ccc(N(C)C)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TERT O14746 1/20 0.32
APP P05067 1/20 0.32
MAPT P10636 1/20 0.30
PSMB5 P28074 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
SCHEMBL4650959 0.76 LMNA (0.37) ALDH1A1
SCHEMBL1452656 0.75 ALDH1A1 (0.33) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL1453356 0.75 ALDH1A1 (0.33) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL1453748 0.73 TERT (0.35) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL1453097 0.73 ALDH1A1 (0.32) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL4651925 0.73 ALDH1A1 (0.34) ALDH1A1HSD17B10APPMAPT
SCHEMBL4652087 0.72 L3MBTL1 (0.32) MAPT
SCHEMBL4653331 0.71
SCHEMBL4652089 0.70 QDPR (0.35) MAPT
SCHEMBL4651188 0.69 CYP3A4 (0.35)

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-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed