SCHEMBL9506328

SCHEMBL9506328

CC1(C)O[C@H](CCCO)[C@@H](Cc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.42
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL9506335 1.00 TLR9 (0.42) TLR9CYP3A4MAPK1ALDH1A1TDP1
SCHEMBL15553027 0.90 TLR9 (0.47) TLR9CYP3A4MAPK1ALDH1A1TDP1
SCHEMBL18802162 0.90 TLR9 (0.47) TLR9CYP3A4MAPK1ALDH1A1TDP1
SCHEMBL15549575 0.90 TLR9 (0.47) TLR9CYP3A4MAPK1ALDH1A1TDP1
SCHEMBL17827376 0.86 TLR9 (0.43) TLR9CYP3A4MAPK1ALDH1A1TMEM97
SCHEMBL16808529 0.83 TLR9 (0.46) TLR9CYP3A4MAPK1ALDH1A1TDP1
SCHEMBL17093413 0.83 TLR9 (0.46) TLR9CYP3A4MAPK1ALDH1A1TDP1
SCHEMBL28369179 0.81 TLR9 (0.47) TLR9CYP3A4MAPK1ALDH1A1TMEM97
SCHEMBL28364820 0.81 TLR9 (0.47) TLR9CYP3A4MAPK1ALDH1A1TMEM97
SCHEMBL16808492 0.79 TLR9 (0.36) TLR9CYP3A4MAPK1TMEM97SIGMAR1

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
JP-5140144-A — — None — — JP disclosed
JP-H05140144-A NEW ALCOHOL AND ITS PRODUCTION AND NEW ESTER AND PRODUCTION OF ROOTING INDUCTION SUBSTANCE OF CARROTS FROM NEW ALCOHOL NITTO DENKO CORP 1993-06-08 — — JP disclosed
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