SCHEMBL8538995

SCHEMBL8538995

COc1ccc(C(=O)CCCCCCc2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.57
HDAC8 Q9BY41 3/20 0.53
HDAC1 Q13547 3/20 0.53
PDE4B Q07343 1/20 0.51
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL8537670 1.00 TBXAS1 (0.57) TBXAS1HDAC8HDAC1PDE4BMAPT
SCHEMBL8538471 0.84 SMN1; SMN2 (0.50) TBXAS1HDAC1ALDH1A1GAAHTT
SCHEMBL8536355 0.82 TBXAS1 (0.57) TBXAS1MAPTNAMPT
SCHEMBL8538811 0.82 TBXAS1 (0.51) TBXAS1MAPTHTTSMN1; SMN2NAMPT
SCHEMBL8536541 0.82 TBXAS1 (0.50) TBXAS1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL4642330 0.81 THRA (0.57) TBXAS1
SCHEMBL8536914 0.81 TBXAS1 (0.56) TBXAS1NAMPT
SCHEMBL5597244 0.80 THRA (0.55) TBXAS1
SCHEMBL8535819 0.80 TBXAS1 (0.48) TBXAS1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8535356 0.80 TBXAS1 (0.48) TBXAS1ALDH1A1GAAHTTSMN1; 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