SCHEMBL11340396

SCHEMBL11340396

NCCC[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TPSAB1 Q15661 1/20 0.51
CASP1 P29466 10/20 0.50
ITGB3 P05106 5/20 0.50
ITGA2B P08514 5/20 0.50
HTT P42858 1/20 0.47

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
SCHEMBL7063901 1.00 CTRB1 (0.54) CTRB1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19345761 0.96 CTRB1 (0.53) CTRB1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19386326 0.89 CTRB1 (0.57) CTRB1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL6647414 0.89 CTRB1 (0.51) CTRB1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL9574175 0.88 CASP1 (0.60) CTRB1CASP1ITGB3ITGA2BHTT
SCHEMBL7136060 0.86 CTRB1 (0.66) CTRB1CASP1HTT
SCHEMBL19295561 0.86 SYK (0.57) CTRB1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL6652290 0.86 HTT (0.63) CTRB1CASP1HTT
SCHEMBL6649610 0.86 HTT (0.63) CTRB1CASP1HTT
SCHEMBL17816593 0.86 CTSL (0.55) CTRB1

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
EP-0035337-A1 3-O-Demethyl derivatives of sannamycin C and antibiotic AX-127B-1 ABBOTT LABORATORIES (US) 1981-09-09 EP disclosed
US-4283529-A 3-O-Demethyl derivatives of Sannamycin C and antibiotic AX-127B-1 ABBOTT LABORATORIES (US) 1981-08-11 US disclosed