SCHEMBL8538862

SCHEMBL8538862

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.45
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 2/20 0.40
NAMPT P43490 1/20 0.40
CYP19A1 P11511 1/20 0.38
HTR1A P08908 2/20 0.37
MAPT P10636 1/20 0.36
TERT O14746 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
SCHEMBL8537671 1.00 TBXAS1 (0.45) TBXAS1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8538815 0.82 TBXAS1 (0.40) TBXAS1NAMPT
SCHEMBL8535683 0.82 TBXAS1 (0.45) TBXAS1SMN1; SMN2HTR1ATERT
SCHEMBL8536545 0.81 TBXAS1 (0.40) TBXAS1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8535819 0.81 TBXAS1 (0.48) TBXAS1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8535356 0.81 TBXAS1 (0.48) TBXAS1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8536865 0.80 TBXAS1 (0.46) TBXAS1NAMPTTERT
Hydrochloric Acid SCHEMBL8537563 0.77 TBXAS1 (0.47) TBXAS1HTTSMN1; SMN2CYP19A1TERT
SCHEMBL8538995 0.76 TBXAS1 (0.57) TBXAS1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8537670 0.76 TBXAS1 (0.57) 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