SCHEMBL9289282

SCHEMBL9289282

CCCCCCCCC(C)NCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH4 P08319 1/20 0.52
ADH7 P40394 1/20 0.52
DNM1 Q05193 2/20 0.44
OPRM1 P35372 1/20 0.42
ADRB2 P07550 4/20 0.42
SPHK1 Q9NYA1 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL28277181 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28277199 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28277187 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28277183 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9205136 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25072163 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28275805 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9214863 1.00 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8648945 0.98 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL21887554 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7

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-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
WO-2012075232-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2012-06-07 WO disclosed
EP-1896466-B1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed