SCHEMBL8978441

SCHEMBL8978441

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ELANE P08246 3/20 0.39
F2 P00734 2/20 0.39
CTSG P08311 1/20 0.39
HTR2C P28335 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9006395 0.83 USP2 (0.65) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL6965437 0.82 USP2 (0.64) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9536593 0.82 USP2 (0.59) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9536587 0.82 USP2 (0.59) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9534501 0.81 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9534489 0.81 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5711299 0.81 USP2 (0.63) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL3184957 0.81 USP2 (0.63) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL8842431 0.81 USP2 (0.63) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL4291455 0.81 USP2 (0.63) 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
EP-0530506-B1 Optically active omega-halogen-2-amino alkanoic acids derivatives, process for their preparation and their use for the preparation of optically active phosphor-containing alpha-aminoacids HOECHST SCHERING AGREVO GMBH (DE) 1996-05-01 EP disclosed