SCHEMBL20019982

SCHEMBL20019982

CNc1cc(CCO)cc(Cl)c1F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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
SCHEMBL20019966 0.81 NPC1 (0.37) SIGMAR1
SCHEMBL20019870 0.77 PTGS1 (0.38)
SCHEMBL20019907 0.75 SIGMAR1 (0.32) SIGMAR1
SCHEMBL9231800 0.71 MAPT (0.42)
SCHEMBL25065902 0.71 ALDH1A1 (0.36)
SCHEMBL20019770 0.71 PNMT (0.33)
Acetic Acid SCHEMBL7106412 0.69 CYP4F2 (0.35)
SCHEMBL28713998 0.68 GPR35 (0.32)
SCHEMBL31226359 0.67 TSHR (0.42)
SCHEMBL2927011 0.66 HSD17B10 (0.48)

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-2697229-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed