SCHEMBL8524876

SCHEMBL8524876

NCCCC(NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.62
ITGA2B P08514 2/20 0.62
CHRNA1 P02708 5/20 0.53
CHRNG P07510 5/20 0.53
CHRNB1 P11230 5/20 0.53
CHRND Q07001 5/20 0.53
CNR2 P34972 7/20 0.53
GRIA1 P42261 1/20 0.50
POLB P06746 1/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49

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
SCHEMBL8524877 1.00 ITGB3 (0.62) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL22129697 0.95 ITGB3 (0.64) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL22129699 0.95 ITGB3 (0.64) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL9203772 0.90 ITGB3 (0.54) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL699440 0.86 F2 (0.55) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL4601261 0.86 F2 (0.55) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL6349086 0.85 CNR2 (0.73) ITGB3ITGA2BCNR2POLB
SCHEMBL22379990 0.85 CNR2 (0.53) ITGB3ITGA2BCNR2POLB
SCHEMBL9830029 0.85 ATM (0.56) ITGB3ITGA2BCNR2POLB
SCHEMBL11687456 0.85 CNR2 (0.53) ITGB3ITGA2BCNR2POLB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101368199-A Method for preparing D-aminophenol with immobilization penicillin acylated enzyme catalysis UNIV CHONGQING POSTS & TELECOM (CN) 2009-02-18 CN claimed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP claimed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP claimed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP claimed
CN-101368199-A Method for preparing D-aminophenol with immobilization penicillin acylated enzyme catalysis UNIV CHONGQING POSTS & TELECOM (CN) 2009-02-18 CN disclosed
CN-101003822-A Method for producing D amino acid by immobilizing acylation enzyme of penicillin CHENGDU ORGANIC CHEMISTRY C A (CN) 2007-07-25 CN disclosed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed