SCHEMBL8201256

SCHEMBL8201256

COC(=O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.61
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PREP P48147 1/20 0.41
KAT2B Q92831 1/20 0.41
F2 P00734 2/20 0.41
ELANE P08246 2/20 0.41
CTSG P08311 1/20 0.41

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
SCHEMBL8013209 0.92 USP2 (0.65) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL8842184 0.91 USP2 (0.64) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL8196001 0.89 USP2 (0.73) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9534501 0.89 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9534489 0.89 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5711284 0.89 USP2 (0.63) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL3184957 0.89 USP2 (0.63) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5711299 0.89 USP2 (0.63) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9536593 0.87 USP2 (0.59) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9536587 0.87 USP2 (0.59) USP2PSEN1PSEN2APH1BNCSTN

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-6043278-A FORMULATION COMPRISING MIXTURE OF BETA-LACTAM ANTIBIOTIC AND PERFLUOROLOWERALKYL DERIVATIVE OF AMINO ACID ISIS INNOVATION LIMITED (GB) 2000-03-28 US disclosed