SCHEMBL4310967

SCHEMBL4310967

O=C(O)CCCCC(SSC(CCCCC(=O)O)N1C(=O)CCC1=O)N1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.37
LMNA P02545 2/20 0.37
PTGER4 P35408 7/20 0.36
PTGER3 P43115 6/20 0.36
PTGER2 P43116 5/20 0.36
ENPEP Q07075 1/20 0.36
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 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
SCHEMBL825651 0.98 LMNA (0.39) GSTK1LMNAPTGER4PTGER3PTGER2
SCHEMBL826505 0.98 LMNA (0.39) GSTK1LMNAPTGER4PTGER3PTGER2
SCHEMBL4302806 0.98 LMNA (0.39) GSTK1LMNAPTGER4PTGER3PTGER2
SCHEMBL30773222 0.78 ALDH1A1 (0.49) GSTK1LMNAPTGER4PTGER3PTGER2
SCHEMBL9607 0.77 KMT2A (0.43) KMT2A
SCHEMBL17821007 0.77 ALDH1A1 (0.47) GSTK1LMNAPTGER4PTGER3PTGER2
SCHEMBL846234 0.77 ALDH1A1 (0.47) GSTK1LMNAPTGER4PTGER3PTGER2
SCHEMBL15475975 0.73 PTGS1 (0.45) GSTK1LMNAPTGER4PTGER3PTGER2
SCHEMBL14674752 0.72 ALDH1A1 (0.50) GSTK1LMNAENPEPNFKB1KMT2A
SCHEMBL8530129 0.72 ALDH1A1 (0.36) GSTK1LMNAPTGER4PTGER3PTGER2

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
EP-4710099-A1 BIO-ELECTROCHEMICAL SENSORS Tingo Medical Ltd. (IL) 2026-03-18 EP disclosed
WO-2024231921-A1 BIO-ELECTROCHEMICAL SENSORS TINGO MEDICAL LTD. (IL) 2024-11-14 WO disclosed
WO-2009066080-A2 ARRAY NANOBIODESIGN LIMITED (GB) 2009-05-28 WO disclosed