SCHEMBL8811792

SCHEMBL8811792

CCCCCCCCCCCCCCCCCCN(C(=O)OC(C)(C)C)[C@H](C)[C]=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
CA14 Q9ULX7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSK P43235 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CES2 O00748 3/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL18619385 0.79 CA14 (0.40) EPHX2CA14HDAC1HDAC2HDAC6
SCHEMBL10242219 0.79 EPHX2 (0.36) EPHX2CA14HDAC1HDAC2HDAC6
SCHEMBL21280312 0.79 CTSK (0.37) EPHX2CA14HDAC1HDAC2HDAC6
SCHEMBL15082324 0.79 EPHX2 (0.36) EPHX2CA14HDAC1HDAC2HDAC6
SCHEMBL20158306 0.79 CA14 (0.35) EPHX2CA14HDAC1HDAC2HDAC6
SCHEMBL12258766 0.79 CA14 (0.38) EPHX2CA14HDAC1HDAC2HDAC6
SCHEMBL30500335 0.78 CTSK (0.38) EPHX2CA14HDAC1HDAC2HDAC6
SCHEMBL22186685 0.75 ALDH1A1 (0.38) EPHX2LMNAL3MBTL1CA12CA1
SCHEMBL20248816 0.75 CTSK (0.35) CA14HDAC1HDAC2HDAC6CTSK
SCHEMBL7207294 0.75 GNAI3 (0.41) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987762-B2 Fuel treatment device ENVIROTRON LLC (US) 2024-05-21 US disclosed
US-5688771-A Lipophilic oligopeptides with immunomodulating activity BIOCHEM PHARMA INC. (CA) 1997-11-18 US disclosed
WO-1997011914-A1 WATER TREATMENT ARRANGEMENT TECHNICAT, INC. (US) 1997-04-03 WO disclosed