SCHEMBL10748752

SCHEMBL10748752

C1=Cc2ccccc2OC1.[Co].[Ti]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 3/20 0.41
STS P08842 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL315912 0.98 CYP2B6 (0.42) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL29846230 0.98 CYP2B6 (0.42) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL30285 0.98 CYP2B6 (0.42) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL20477668 0.96 CYP2B6 (0.39) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL22168595 0.96 CYP2B6 (0.39) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL322094 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL17835338 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL322632 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL11041083 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL130348 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1

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-4636215-A Combination tray and condylar prosthesis for mandibular reconstruction and the like REI, INC. (US) 1987-01-13 US disclosed