SCHEMBL18802254

SCHEMBL18802254

OCC1OC2(CCCCC2)OC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
TLR9 Q9NR96 1/20 0.42
SIGMAR1 Q99720 6/20 0.39
TMEM97 Q5BJF2 4/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GBA1 P04062 1/20 0.34
TSHR P16473 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL16808637 1.00 HTR1A (0.42) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL16808417 1.00 HTR1A (0.42) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL18186838 0.98 TLR9 (0.43) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL16808415 0.98 TLR9 (0.43) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL16808531 0.98 TLR9 (0.43) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL16808519 0.88 TLR9 (0.43) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL18801900 0.88 TLR9 (0.43) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL16808641 0.88 TLR9 (0.43) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL18802099 0.86 TLR9 (0.44) HTR1ATLR9SIGMAR1TMEM97POLB
SCHEMBL17093247 0.86 TLR9 (0.44) HTR1ATLR9SIGMAR1TMEM97POLB

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
EP-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed