SCHEMBL9765887

SCHEMBL9765887

C=CCC(C(=O)O)C(=O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.54
PLOD2 O00469 1/20 0.51
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
APP P05067 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 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
SCHEMBL9034087 0.85 ALDH1A1 (0.50) TBXAS1PLOD2GAAALDH1A1APP
SCHEMBL9164487 0.82 PLOD2 (0.49) TBXAS1PLOD2GAAALDH1A1APP
SCHEMBL9356364 0.82 CYP2C19 (0.55) TBXAS1ALDH1A1MMP1MMP2MMP3
SCHEMBL5162022 0.80 ALDH1A1 (0.55) TBXAS1PLOD2GAAALDH1A1APP
SCHEMBL24434284 0.79 EPHX2 (0.46) TBXAS1PLOD2GAAALDH1A1APP
SCHEMBL31249622 0.77 MAPT (0.45) TBXAS1PLOD2GAAALDH1A1APP
SCHEMBL6900351 0.77 ALDH1A1 (0.51) TBXAS1PLOD2GAAALDH1A1APP
SCHEMBL6511843 0.77 MDM2 (0.62) TBXAS1PLOD2GAAALDH1A1APP
SCHEMBL10975235 0.77 MDM2 (0.55) ALDH1A1MMP1MMP2MMP3MMP7
SCHEMBL27623816 0.77 TBXAS1 (0.57) TBXAS1TBXA2R

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-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed