SCHEMBL25672964

SCHEMBL25672964

CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCO[C@H]1OC(CO[C@H]2OC(CO)[C@@H](O)C(O)C2O)[C@@H](O)C(O)C1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.49
MAPK1 P28482 1/20 0.49
MMP13 P45452 1/20 0.45
HPSE Q9Y251 4/20 0.44
FGF1 P05230 3/20 0.44
FGF2 P09038 3/20 0.44

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
SCHEMBL16092453 0.94 MAPK1 (0.55) GJB2MAPK1MMP13
SCHEMBL4298713 0.94 MAPK1 (0.55) GJB2MAPK1MMP13
SCHEMBL14506448 0.94 MAPK1 (0.55) GJB2MAPK1MMP13
SCHEMBL30391777 0.92 MAPK1 (0.53) GJB2MAPK1MMP13
SCHEMBL18392190 0.91 MAPK1 (0.58) GJB2MAPK1HPSEFGF1FGF2
SCHEMBL16092454 0.91 GJB2 (0.54) GJB2MAPK1MMP13HPSEFGF1
SCHEMBL16502213 0.89 MMP13 (0.49) GJB2MAPK1MMP13HPSEFGF1
SCHEMBL16092085 0.88 GJB2 (0.43) GJB2MMP13
SCHEMBL19841394 0.87 CD209 (0.51) GJB2MAPK1MMP13HPSEFGF1
SCHEMBL12972816 0.87 GJB2 (0.58) GJB2MAPK1MMP13HPSEFGF1

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
WO-2023091441-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A TETRA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed