SCHEMBL14874698

SCHEMBL14874698

COc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1.COc1ccc(Br)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.37
EGFR P00533 2/20 0.36
KDR P35968 1/20 0.36
UCHL1 P09936 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CFTR P13569 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SLC6A4 P31645 1/20 0.32
CPS1 P31327 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1529119 0.91 SNCA (0.41) SNCAEGFRUCHL1CYP1A1CYP1A2
SCHEMBL586551 0.85 CXCR2 (0.39) LPLLIPGCA1CA2CA9
SCHEMBL18117618 0.82 SNCA (0.41) SNCAUCHL1CYP1A2LPLLIPG
SCHEMBL15573245 0.81 ALK (0.32)
SCHEMBL15572934 0.81 PTGS1 (0.38)
SCHEMBL14689746 0.79 SNCA (0.41) SNCAEGFRUCHL1CYP1A1CYP1A2
SCHEMBL276828 0.78 EGFR (0.48) EGFRKDRCYP1A1CYP1A2CYP1B1
SCHEMBL29785358 0.78 EGFR (0.48) EGFRKDRCYP1A1CYP1A2CYP1B1
SCHEMBL22095433 0.76 LPL (0.40) EGFRLPLLIPG
SCHEMBL24873949 0.75 LPL (0.35) EGFRUCHL1LPLLIPGCA1

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
EP-2029560-B1 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-04-24 EP disclosed