SCHEMBL6905386

SCHEMBL6905386

CCc1cc(C)cc(N)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.38
NOS2 P35228 4/20 0.38
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NOS1 P29475 2/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHFR P00374 1/20 0.35
MAP4K1 Q92918 1/20 0.33
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL12515037 0.85 ALDH1A1 (0.43) NOS3NOS2ALDH1A1KDM4EMAPT
SCHEMBL11148575 0.85 ALDH1A1 (0.41) NOS3NOS2ALDH1A1KDM4EMAPT
SCHEMBL3025730 0.83 DHFR (0.36) NOS3NOS2ALDH1A1KDM4EMAPT
SCHEMBL10432144 0.79 DHFR (0.36) NOS3NOS2ALDH1A1KDM4EMAPT
SCHEMBL25162110 0.79 ALDH1A1 (0.48) NOS3NOS2ALDH1A1KDM4EMAPT
SCHEMBL395488 0.77 DHFR (0.42) NOS3NOS2ALDH1A1MAPTGAA
SCHEMBL18966864 0.76 KMT2A (0.40) NOS3NOS2ALDH1A1KDM4ENOS1
SCHEMBL394710 0.76 NOS3 (0.39) NOS3NOS2ALDH1A1MAPTNOS1
SCHEMBL29348122 0.76 NOS3 (0.36) NOS3NOS2ALDH1A1KDM4EMAPT
SCHEMBL11230051 0.76 CYP3A4 (0.35) NOS3NOS2ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762273-B2 DURABILITY; AERODYNAMIC SURFACE GEOMETRY; REACTION PRODUCT OF POLYTETRAMETHYLENE ETHER GLYCOL TERMINATED TOLUENE DIISO-CYANATE, N,N'-DIALKYLAMINO-DIPHENYL-METHANE AND 4,4''-METHYLENEBIS-(2,6-DIETHYL)-ANILINE CALLAWAY GOLF COMPANY 2004-07-13 US disclosed
US-20040116622-A1 [A THERMOSETTING POLYURETHANE MATERIAL FOR A GOLF BALL COVER] CALLAWAY GOLF COMPANY (US) 2004-06-17 US disclosed
US-20030228937-A1 Thermosetting polyurethane material for a golf ball cover CALLAWAY GOLF COMPANY 2003-12-11 US disclosed