Sugi Predict

Sugi Predict / Compounds / SCHEMBL4741964

SCHEMBL4741964

SCHEMBL4741964

C=CCOP1(=O)CCC(c2c(F)cc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.51
▸ MAOB P27338 3/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ SDHA P31040 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CALML3 P27482 1/20 0.51
▸ F10 P00742 3/20 0.39

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
SCHEMBL4799567 1.00 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4738919 0.90 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4842812 0.89 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4739744 0.87 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4743042 0.86 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4741701 0.84 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4739699 0.82 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4743089 0.82 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4810778 0.82 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4743086 0.81 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA

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
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 — — WO claimed
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 — — WO disclosed