SCHEMBL20538239

SCHEMBL20538239

[CH2][C@@H]1OC(C)(C)O[C@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
CYP3A4 P08684 5/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CTRB1 P17538 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL16796654 1.00 TLR9 (0.42) TLR9CYP3A4MAPK1ALDH1A1MEN1
SCHEMBL20537586 1.00 TLR9 (0.42) TLR9CYP3A4MAPK1ALDH1A1MEN1
SCHEMBL16973331 0.82 TLR9 (0.46) TLR9CYP3A4MAPK1ALDH1A1MEN1
SCHEMBL16796656 0.80 TLR9 (0.44) TLR9CYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL20538367 0.79 TLR9 (0.41) TLR9CYP3A4MAPK1ALDH1A1MEN1
SCHEMBL20537498 0.79 TLR9 (0.41) TLR9CYP3A4MAPK1ALDH1A1MEN1
SCHEMBL16795911 0.79 TLR9 (0.41) TLR9CYP3A4MAPK1ALDH1A1MEN1
SCHEMBL17093413 0.79 TLR9 (0.46) TLR9CYP3A4MAPK1ALDH1A1TSHR
SCHEMBL16808529 0.79 TLR9 (0.46) TLR9CYP3A4MAPK1ALDH1A1TSHR
SCHEMBL20537523 0.78 HTR1A (0.40) TLR9MAPK1TSHRTMEM97SIGMAR1

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
EP-3079685-B1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO PHARM SOLUTIONS CO LTD (KR) 2018-11-28 EP claimed
EP-3079686-B1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY BIO PHARM SOLUTIONS CO LTD (KR) 2018-10-24 EP claimed