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Sugi Predict / Compounds / SCHEMBL6478024

SCHEMBL6478024

SCHEMBL6478024

CCOC(=O)C(O)CNc1cc(F)c(N2C[C@@H]3C(C(=O)O)[C@@H]3C2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ FFAR4 Q5NUL3 7/20 0.32
▸ ACACB O00763 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ IDH1 O75874 2/20 0.31
▸ PPM1B O75688 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
SCHEMBL6478027 1.00 ALDH1A1 (0.34) ALDH1A1MAPK1FFAR4ACACBKDM4E
SCHEMBL6477628 0.88 CNR2 (0.32) ALDH1A1MAPK1FFAR4ACACBCNR2
SCHEMBL6477626 0.88 CNR2 (0.32) ALDH1A1MAPK1FFAR4ACACBCNR2
SCHEMBL4705757 0.73 FFAR4 (0.34) FFAR4ACACB
SCHEMBL6477799 0.69 MGLL (0.47) ALDH1A1RAB9A
SCHEMBL6488898 0.69 MAOA (0.50) ALDH1A1PPM1B
SCHEMBL6477500 0.68 PTGDR2 (0.44) ALDH1A1FFAR4RAB9A
SCHEMBL3044040 0.68 FFAR4 (0.30) FFAR4
SCHEMBL5378920 0.67 KCNQ3 (0.34) ALDH1A1RAB9A
SCHEMBL14197158 0.67 KCNQ3 (0.34) ALDH1A1RAB9A

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-6875784-B2 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-04-05 — — US disclosed