SCHEMBL7074766

SCHEMBL7074766

[CH2]CCc1ccc(N)cc1CCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
SRC P12931 1/20 0.40
TLR8 Q9NR97 5/20 0.39
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5377545 0.90 MAPT (0.49) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL6835567 0.89 TYR (0.47) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL5379403 0.88 TYR (0.46) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL5831415 0.84 GPR84 (0.47) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL5830961 0.84 GPR84 (0.51) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL10624456 0.84 GPR84 (0.51) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL10708491 0.84 TSHR (0.47) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL11347930 0.84 TYR (0.47) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL22271463 0.82 GPR84 (0.49) TYRTSHRCYP3A4MAPTMEN1
SCHEMBL5377652 0.82 TYR (0.46) TYRTSHRCYP3A4MAPTMEN1

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
WO-2003052026-A1 AN ANTIOXIDANT COMPOSITION POLYINOVA AB (SE) 2003-06-26 WO disclosed