SCHEMBL5013162

SCHEMBL5013162

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)c(C)c2)c2ccc(N(CC)CC)c(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.47
S100B P04271 1/20 0.42
ALDH1A1 P00352 7/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PSMD14 O00487 1/20 0.40
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40
CNR2 P34972 9/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MAPT P10636 2/20 0.36
TERT O14746 1/20 0.36
IGLV6-57 P01721 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL14431219 0.90 GRK6 (0.44) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL5009580 0.88 GRK6 (0.41) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL10611474 0.87 GRK6 (0.43) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL131813 0.82 ALDH1A1 (0.56) GRK6ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL14431218 0.80 GRK6 (0.47) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL18708852 0.78 GRK6 (0.54) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL9658375 0.78 GRK6 (0.54) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL5013165 0.78 GRK6 (0.44) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL5007900 0.75 GRK6 (0.48) GRK6S100BALDH1A1TSHRCYP3A4
SCHEMBL656825 0.75 S100B (0.51) GRK6S100BALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed