SCHEMBL5498219

SCHEMBL5498219

CCCCCCCCCCC(C)CC(CCCCC)[C]1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.36
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
LMNA P02545 1/20 0.31
PTPN1 P18031 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 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
SCHEMBL27522609 0.85 LMNA (0.37) OPRM1SPHK1LMNA
SCHEMBL5807043 0.84 ACE2 (0.37) ACE2OPRM1SPHK1LMNAPTPN1
SCHEMBL1133423 0.83 LMNA (0.38) OPRM1SPHK1LMNA
SCHEMBL27520359 0.83 LMNA (0.38) OPRM1SPHK1LMNA
SCHEMBL29010410 0.82 NR1I2 (0.39) OPRM1SPHK1LMNA
SCHEMBL28030710 0.76 OPRM1 (0.38) ACE2OPRM1SPHK1LMNAADH1B
SCHEMBL4275509 0.72 ACE2 (0.52) ACE2OPRM1SPHK1LMNAADH1B
SCHEMBL4275317 0.72 ACE2 (0.52) ACE2OPRM1SPHK1LMNAADH1B
SCHEMBL4281824 0.72 ACE2 (0.52) ACE2OPRM1SPHK1LMNAADH1B
SCHEMBL4272056 0.72 ACE2 (0.52) ACE2OPRM1SPHK1LMNAADH1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747451-A2 POINT OF CARE HEPARIN DETERMINATION SYSTEM Medtronic, Inc. (US) 2007-01-31 EP claimed
WO-2005116623-A2 POINT OF CARE HEPARIN DETERMINATION SYSTEM MEDTRONIC, INC. (US) 2005-12-08 WO claimed