SCHEMBL9632622

SCHEMBL9632622

CCCCCN1CC[N]C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX5 P09917 2/20 0.38
MGLL Q99685 4/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
FAAH O00519 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G2A P14555 1/20 0.34
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
G6PD P11413 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9704737 0.98 GBA1 (0.45) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL9705943 0.94 MEN1 (0.39) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL5983248 0.89 GBA1 (0.41) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL5981877 0.87 GBA1 (0.43) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL993043 0.86
SCHEMBL5983122 0.83 MEN1 (0.37) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL5621142 0.77
SCHEMBL5982960 0.74 KMT2A (0.35) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5535564 0.74 ALDH1A1 (0.41) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL8392599 0.74 ITGB3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162523-A CEPHALOSPORIN ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1992-11-10 US disclosed
US-5159077-A Bactericide, antibiotic HOFFMANN-LA ROCHE INC. (US) 1992-10-27 US disclosed
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed
EP-0409081-A1 Beta-Lactam Derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-23 EP disclosed
EP-0085291-B1 2-OXO-1-(AMINOCARBONYLAMINOSULFONYLAMINOCARBONYL)AZETIDINES E.R. Squibb & Sons, Inc. (US) 1988-08-17 EP disclosed
US-4670553-A 2-oxo-1-(aminocarbonylaminosulfonyl-aminocarbonyl)azetidines E. R. SQUIBB & SONS, INC. (US) 1987-06-02 US disclosed
EP-0085291-A1 2-Oxo-1-(aminocarbonylaminosulfonylaminocarbonyl)azetidines E.R. Squibb & Sons, Inc. (US) 1983-08-10 EP disclosed