SCHEMBL7633008

SCHEMBL7633008

CC(C)CC(C)NC1C=CC(=Nc2ccccc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 2/20 0.31
SLC18A2 Q05940 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL1241941 0.70 ALDH1A1 (0.31) ALDH1A1CYP3A4ALOX15TSHRALOX12
SCHEMBL20088851 0.67 ALDH1A1 (0.38) ALDH1A1MAPK1
SCHEMBL6209213 0.66 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL3398815 0.65 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRALOX12
SCHEMBL6911340 0.64 ALDH1A1 (0.35) ALDH1A1MAPK1
SCHEMBL755432 0.64 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1
SCHEMBL7093744 0.63 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL6817759 0.63 LMNA (0.32) ALDH1A1
SCHEMBL6208646 0.62 LMNA (0.33) ALDH1A1MAPK1
SCHEMBL12336906 0.61 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRMAPK1

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-6376728-B1 OF ALKENYL MONOMERS HERCULES INCORPORATED 2002-04-23 US claimed
US-6376728-B1 OF ALKENYL MONOMERS HERCULES INCORPORATED 2002-04-23 US disclosed