SCHEMBL8535819

SCHEMBL8535819

COc1ccc(CCCCCCCc2ncc[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.48
CALM1 P0DP23 1/20 0.46
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
AOC3 Q16853 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TERT O14746 1/20 0.41

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
SCHEMBL8535356 1.00 TBXAS1 (0.48) TBXAS1CALM1IGF1RALOX15TDP1
SCHEMBL28651400 0.89 TAAR1 (0.46) CALM1TAAR1ALDH1A1AOC3GAA
SCHEMBL8538353 0.84 MMP13 (0.52) TBXAS1NAMPTALDH1A1GAAHTT
SCHEMBL8535738 0.82 HRH3 (0.47) TBXAS1ALOX15NAMPTALDH1A1GAA
SCHEMBL8538862 0.81 TBXAS1 (0.45) TBXAS1NAMPTALDH1A1AOC3GAA
SCHEMBL8537671 0.81 TBXAS1 (0.45) TBXAS1NAMPTALDH1A1AOC3GAA
SCHEMBL10621971 0.81 TAAR1 (0.61) TAAR1ALDH1A1POLBGAAHTT
SCHEMBL8537670 0.80 TBXAS1 (0.57) TBXAS1NAMPTALDH1A1GAAHTT
SCHEMBL8538995 0.80 TBXAS1 (0.57) TBXAS1NAMPTALDH1A1GAAHTT
SCHEMBL8690250 0.80 HRH3 (0.48) NAMPTALDH1A1GAAHTTSMN1; SMN2

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-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed