SCHEMBL24870940

SCHEMBL24870940

CCCCc1cc(CCCC)c(O)c(CNCCN(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 3/20 0.36
CYP3A4 P08684 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
DNM2 P50570 6/20 0.34
GAA P10253 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
SCHEMBL8933366 0.82 NPC1 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27208121 0.82 TERT (0.46) TERTHTTSIGMAR1
SCHEMBL201692 0.78 NPC1 (0.57) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL19259251 0.77 HPGD (0.40) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6066009 0.77 SLC6A4 (0.44) SIGMAR1
SCHEMBL27977349 0.77 NPC1 (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28031372 0.77 NPC1 (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28215541 0.77 NPC1 (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL2230538 0.76 TERT (0.49) TERTSIGMAR1DNM2
SCHEMBL10633892 0.75 SIGMAR1 (0.48) PTGS2CYP3A4SIGMAR1

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-2023283473-A1 POLY(DIALKYL BETA-LACTONE) COMPOSITIONS, METHODS OF MAKING SAME AND USES THEREOF CORNELL UNIVERSITY (US) 2023-01-12 WO disclosed