SCHEMBL5323899

SCHEMBL5323899

Cc1c(N)ccc(OCC(C)(O)C(C)O)c1F

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 18/20 0.37
VDR P11473 1/20 0.31

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
SCHEMBL5326367 0.84 VDR (0.37) AAK1VDR
SCHEMBL5323891 0.79 KDM4E (0.41) VDR
SCHEMBL5325359 0.79 KDM4E (0.41) VDR
SCHEMBL5325354 0.78 L3MBTL1 (0.38) AAK1
SCHEMBL34472182 0.72 KDM4E (0.33)
SCHEMBL5323319 0.71 HTT (0.38)
SCHEMBL634310 0.66 ALDH1A1 (0.47)
SCHEMBL2872256 0.65 ALDH1A1 (0.45)
SCHEMBL14387346 0.63 SMN1; SMN2 (0.38)
Ammonia Solution, Strong SCHEMBL28932301 0.63 MAPT (0.52)

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
WO-2007121416-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed