SCHEMBL5889044

SCHEMBL5889044

C=CCc1cc(F)c(C(=O)O)s1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
BCKDK O14874 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
SCHEMBL11034047 0.78 PTGDR (0.31)
SCHEMBL5888985 0.69 DAO (0.40) DAO
SCHEMBL18701693 0.69 DAO (0.41) DAOBCKDK
SCHEMBL18701659 0.67 DAO (0.45) DAOBCKDK
SCHEMBL4970408 0.67 DAO (0.45) DAO
SCHEMBL18701642 0.66 DAO (0.47) DAOBCKDK
SCHEMBL12104573 0.66 PKM (0.48) DAOBCKDK
SCHEMBL20894075 0.66 BCKDK (0.40) DAOBCKDK
SCHEMBL20894252 0.66 GSK3B (0.42) DAOBCKDK
SCHEMBL10987003 0.66 MAPK1 (0.39)

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-1214316-B1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INT LTD (CH) 2003-05-07 EP claimed
US-7052742-B1 Five membered-ring compounds and utilization thereof in liquid crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2006-05-30 US disclosed