SCHEMBL8157770

SCHEMBL8157770

CCCCCc1ccc(C)c2c1[CH]C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.40
ALOX5 P09917 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LIPG Q9Y5X9 1/20 0.35
PTGS2 P35354 2/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 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
SCHEMBL8151665 0.87
SCHEMBL8151590 0.84 TYR (0.41) TYRALOX5TP53CYP3A4MEN1
SCHEMBL28746347 0.83 TYR (0.41) TYRALOX5TP53CYP3A4MEN1
SCHEMBL3279149 0.75 TYR (0.39) TYRALOX5TP53CYP3A4MEN1
SCHEMBL3274492 0.72 LIPG (0.42) ALOX5MAPTALOX15LIPGPTGS2
SCHEMBL2853357 0.72 TYR (0.40) TYRALOX5TP53CYP3A4MEN1
SCHEMBL2851133 0.71 TYR (0.42) TYRALOX5TP53CYP3A4MEN1
SCHEMBL9169221 0.70 TYR (0.38) TYRALOX5TP53CYP3A4MEN1
SCHEMBL28092180 0.70
SCHEMBL27524839 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6072085-A COMBINING SUBSTRATE IMINE, NUCLEOPHILIC ACTIVATOR, SILANE, METAL CATALYST, WHEREIN CATALYST CATALYZES REDUCTION OF IMINE BY HYDROSILATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-06-06 US disclosed
EP-0726271-B1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM CO (US) 2000-05-24 EP disclosed
US-5670589-A COORDINATION POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-09-23 US disclosed
EP-0726271-A1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1996-08-14 EP disclosed