SCHEMBL25867908

SCHEMBL25867908

CC(C)(C)SCCC(=O)OCC(COC(=O)CCSC(C)(C)C)(COC(=O)CCSC(C)(C)C)COC(=O)CCSC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10297994 0.79 MAPT (0.33) NPC1SMN1; SMN2
SCHEMBL8894808 0.77 TSHR (0.52) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL24141548 0.76 TSHR (0.41) HPGD
SCHEMBL13883056 0.75 HDAC1 (0.41) HTR1ADRD2HTR2AHTR7NPC1
SCHEMBL21352713 0.75 MAPK1 (0.31)
SCHEMBL11964795 0.74 THRB (0.32) NPC1SMN1; SMN2
SCHEMBL22760623 0.74 THRB (0.32) NPC1SMN1; SMN2
SCHEMBL20438454 0.74 MAPT (0.33)
SCHEMBL20657368 0.74 HDAC3 (0.33)
SCHEMBL17693114 0.73 USP2 (0.30)

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-20230231142-A1 FUNCTIONALIZED CROSS-LINKED POLYMER NETWORKS, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2023-07-20 US disclosed