SCHEMBL7771508

SCHEMBL7771508

CCCON[C@@H](CC1CCCCC1)C(=O)OP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CTSS P25774 7/20 0.39
CTSL P07711 5/20 0.39
CTSK P43235 5/20 0.39
CTSB P07858 2/20 0.39
NPY5R Q15761 1/20 0.38
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
REN P00797 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PYGL P06737 1/20 0.34

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
SCHEMBL7022706 0.88 METAP2 (0.44) METAP2METAP1CTSSCTSLCTSK
SCHEMBL7793343 0.86 NPY5R (0.41) METAP2METAP1CTSSCTSLCTSK
SCHEMBL7027815 0.79 PRTN3 (0.39)
SCHEMBL15487543 0.74 DPP7 (0.38) METAP2METAP1NPY5RDPP7
SCHEMBL3970115 0.73 TSHR (0.39)
SCHEMBL3970116 0.73 TSHR (0.39)
SCHEMBL7021781 0.73 DPP7 (0.39) NPY5RDPP7
SCHEMBL3973571 0.73 GAA (0.43)
SCHEMBL3973573 0.73 GAA (0.43)
SCHEMBL7022520 0.72 NPC1 (0.38)

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-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 WO disclosed