SCHEMBL24431370

SCHEMBL24431370

COC(=O)NCCCCC(NC(=O)OC)C(=O)NCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 4/20 0.53
▸ SIRT6 Q8N6T7 1/20 0.53
▸ CPB1 P15086 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ SIRT3 Q9NTG7 2/20 0.43
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ TLR2 O60603 2/20 0.40
▸ RRM1 P23921 1/20 0.40
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37

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
SCHEMBL13498562 0.87 SIRT1 (0.46) SIRT1SIRT6CPB1CPB2EPHX1
SCHEMBL17722384 0.87 SIRT1 (0.46) SIRT1SIRT6CPB1CPB2EPHX1
SCHEMBL13498651 0.87 EPHX1 (0.62) SIRT1SIRT6EPHX1SIRT2SIRT3
SCHEMBL13498644 0.87 EPHX1 (0.53) SIRT1SIRT6EPHX1SIRT2SIRT3
SCHEMBL13498646 0.87 EPHX1 (0.57) SIRT1SIRT6EPHX1SIRT2SIRT3
SCHEMBL14262320 0.85 SIRT1 (0.44) SIRT1SIRT6CPB1CPB2EPHX1
SCHEMBL13780259 0.84 SIRT1 (0.43) SIRT1SIRT6CPB1CPB2EPHX1
SCHEMBL13901982 0.84 CPB1 (0.46) SIRT1SIRT6CPB1CPB2EPHX1
SCHEMBL14805675 0.84 SIRT1 (0.46) SIRT1SIRT6CPB1CPB2EPHX1
SCHEMBL13661424 0.84 EPHX1 (0.45) SIRT1SIRT6CPB1CPB2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153992-A1 BRANCHED AND DEGRADABLE POLYETHYLENE GLYCOL DERIVATIVE NOF CORPORATION (JP) 2022-05-19 — — US disclosed
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