SCHEMBL9640983

SCHEMBL9640983

O=C([C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
PREP P48147 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL10595784 1.00 POLB (0.56) POLBPREPSMN1; SMN2NPC1RAB9A
SCHEMBL5345594 0.98 POLB (0.56) POLBPREPSMN1; SMN2NPC1RAB9A
SCHEMBL31662033 0.90 MEN1 (0.60) POLBPREPSMN1; SMN2NPC1RAB9A
SCHEMBL6907072 0.88 POLB (0.52) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4316835 0.88 HRH3 (0.53) POLB
SCHEMBL7140249 0.86 PREP (0.46) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8880304 0.85 POLB (0.49) POLBPREPSMN1; SMN2NPC1RAB9A
SCHEMBL8880296 0.85 POLB (0.49) POLBPREPSMN1; SMN2NPC1RAB9A
SCHEMBL29878 0.85 POLB (0.62) POLBPREPSMN1; SMN2NPC1RAB9A
SCHEMBL71528 0.85 POLB (0.62) POLBPREPSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243686-B1 BETA-LACTAM COMPOUNDS, AND THEIR PRODUCTION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-15 EP disclosed
US-5093328-A Carbapenicillin antibiotics SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-03 US disclosed
US-4810721-A ANTIAMNESIA SUNTORY LIMITED (JP) 1989-03-07 US disclosed
EP-0243686-A2 Beta-lactam compounds, and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-04 EP disclosed