SCHEMBL7864599

SCHEMBL7864599

COC(CO)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
F2RL1 P55085 10/20 0.35
FPR2 P25090 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL1118032 0.77 FPR2 (0.34) SMPD3ALDH1A1KDM4EF2RL1FPR2
SCHEMBL9459934 0.75
SCHEMBL515343 0.75
SCHEMBL9460139 0.75
SCHEMBL9085766 0.74 ALDH1A1 (0.41) SMPD3ALDH1A1KDM4EF2RL1FPR2
SCHEMBL2512229 0.72
SCHEMBL395971 0.72
SCHEMBL6953978 0.72 MMP1 (0.40) ALDH1A1F2RL1FPR2SMN1; SMN2ADRA2A
SCHEMBL4024590 0.71
SCHEMBL6554417 0.69 F2RL1 (0.37) F2RL1FPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140858-A2 ARYLPROPENYLIMIDAZOLES AS FARNESYL-PROTEIN TRANSFERASE INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000039716-A2 ARYLPROPENYLIMIDAZOLES AS FARNESYL-PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed