SCHEMBL18802941

SCHEMBL18802941

CCC1(CC)OC(Cc2ccccc2)[C@@H](CCO)O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.33
▸ SIGMAR1 Q99720 3/20 0.33
▸ FASN P49327 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CTRB1 P17538 1/20 0.30
▸ GBA1 P04062 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
SCHEMBL16808497 1.00 TLR9 (0.45) TLR9TDP1SIGMAR1FASNALDH1A1
SCHEMBL16808640 1.00 TLR9 (0.45) TLR9TDP1SIGMAR1FASNALDH1A1
SCHEMBL18802164 1.00 TLR9 (0.45) TLR9TDP1SIGMAR1FASNALDH1A1
SCHEMBL16808520 0.87 TLR9 (0.44) TLR9TDP1FASNALDH1A1TP53
SCHEMBL17093410 0.87 TLR9 (0.44) TLR9TDP1FASNALDH1A1TP53
SCHEMBL18802161 0.87 TLR9 (0.44) TLR9TDP1FASNALDH1A1TP53
SCHEMBL15549575 0.84 TLR9 (0.47) TLR9TDP1SIGMAR1FASNALDH1A1
SCHEMBL18802162 0.84 TLR9 (0.47) TLR9TDP1SIGMAR1FASNALDH1A1
SCHEMBL15553027 0.84 TLR9 (0.47) TLR9TDP1SIGMAR1FASNALDH1A1
SCHEMBL16795979 0.83 TLR9 (0.46) TLR9FASNTP53CTRB1

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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