SCHEMBL20032069

SCHEMBL20032069

CCCc1ccnc(CC(CCC)NCc2cccc(CC(=O)O)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.36
SREBF2 Q12772 5/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGER2 P43116 1/20 0.33
NR3C2 P08235 3/20 0.32
LNPEP Q9UIQ6 1/20 0.32
SORT1 Q99523 1/20 0.32
PDE5A O76074 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 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
SCHEMBL20661472 0.78 ITGB1 (0.37) CYSLTR2CYSLTR1CYP1A2MAPTTSHR
SCHEMBL19214809 0.77 PTPRA (0.44) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL20032083 0.76 KDM4E (0.35) TRPV3SREBF2CYP1A2CYP2D6MAPT
SCHEMBL20661523 0.75 GSK3A (0.38) TRPV3CYP1A2PTGER2NR3C2SORT1
SCHEMBL20032533 0.72 LNPEP (0.36) SREBF2MAPTTSHRSMN1; SMN2PTGER2
SCHEMBL20032160 0.72 ALOX15 (0.42) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL20032028 0.70 MAOA (0.38) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL20661517 0.70 TRPV3 (0.39) TRPV3CYP1A2CYP2D6MAPTTSHR
SCHEMBL19214752 0.69 LNPEP (0.40) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL20032168 0.69 LNPEP (0.37) SREBF2TSHRSMN1; SMN2NR3C2LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed