SCHEMBL8501111

SCHEMBL8501111

CCCCCCC(C)ON

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
SPHK1 Q9NYA1 2/20 0.46
FAAH O00519 5/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
DNM1 Q05193 1/20 0.40
CYP2D6 P10635 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4916660 1.00 OPRM1 (0.50) OPRM1SPHK1FAAHCNR1CNR2
SCHEMBL13267162 1.00 OPRM1 (0.50) OPRM1SPHK1FAAHCNR1CNR2
SCHEMBL2549074 1.00 OPRM1 (0.50) OPRM1SPHK1FAAHCNR1CNR2
Hydrochloric Acid SCHEMBL27799431 0.98 OPRM1 (0.48) OPRM1SPHK1FAAHCNR1CNR2
SCHEMBL8511039 0.97
SCHEMBL941487 0.90
Sulfuric Acid SCHEMBL11689554 0.88 TP53 (0.60) OPRM1SPHK1FAAHCNR1CNR2
SCHEMBL5012572 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHCNR1CNR2
SCHEMBL1930626 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHCNR1CNR2
SCHEMBL534657 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018118102-A1 IONIZABLE CATIONIC LIPID FOR RNA DELIVERY ARCTURUS THERAPEUTICS, INC. (US) 2018-06-28 WO disclosed
CN-103097324-A Process for the direct amination of secondary alcohols with ammonia to give primary amines EVONIK DEGUSSA GMBH 2013-05-08 CN disclosed
US-5886175-A TETRACYCLINE ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1999-03-23 US disclosed
US-5512553-A PREVENTING OR TREATING BACTERIAL INFECTIONS AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed