SCHEMBL5869413

SCHEMBL5869413

O=C1CN(C(=O)OCc2ccccc2)C(c2ccccc2)C(c2ccccc2)O1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.47
ELANE P08246 2/20 0.47
CTSG P08311 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43
HTR2C P28335 1/20 0.42

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
SCHEMBL1820197 1.00 F2 (0.47) F2ELANECTSGPSEN1PSEN2
SCHEMBL28956472 0.85 PSEN1 (0.48) F2ELANECTSGPSEN1PSEN2
SCHEMBL14897525 0.83 RAB9A (0.40) RAB9ASMN1; SMN2
SCHEMBL6822684 0.80 GAA (0.40) ELANEMEN1KMT2AUSP2
SCHEMBL7900809 0.80 GAA (0.40) ELANEMEN1KMT2AUSP2
SCHEMBL31158205 0.79 MEN1 (0.51) F2ELANECTSGPSEN1PSEN2
SCHEMBL28956425 0.78 PSEN1 (0.46) F2ELANECTSGPSEN1PSEN2
SCHEMBL1114372 0.77 PSEN1 (0.44) F2ELANECTSGPSEN1PSEN2
SCHEMBL10207129 0.77 POLB (0.49) ELANEMEN1KMT2AUSP2
SCHEMBL29695931 0.72 MEN1 (0.44) F2ELANEPSEN1PSEN2APH1B

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed