SCHEMBL18802162

SCHEMBL18802162

CC1(C)OC(CCO)C(Cc2ccccc2)O1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.47
▸ CYP3A4 P08684 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ TSHR P16473 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
SCHEMBL15549575 1.00 TLR9 (0.47) TLR9CYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL15553027 1.00 TLR9 (0.47) TLR9CYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL9506335 0.90 TLR9 (0.42) TLR9CYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL9506328 0.90 TLR9 (0.42) TLR9CYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL20019502 0.87 TDP1 (0.44) CYP3A4MAPK1TDP1FASN
SCHEMBL17093413 0.86 TLR9 (0.46) TLR9CYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL16808529 0.86 TLR9 (0.46) TLR9CYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL20019592 0.85 TLR9 (0.35) TLR9
SCHEMBL16808497 0.84 TLR9 (0.45) TLR9ALDH1A1HSD17B10TDP1SIGMAR1
SCHEMBL18802941 0.84 TLR9 (0.45) TLR9ALDH1A1HSD17B10TDP1SIGMAR1

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
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