SCHEMBL20538367

SCHEMBL20538367

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.41
TP53 P04637 1/20 0.33
CTRB1 P17538 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
FASN P49327 1/20 0.31
KDM1A O60341 3/20 0.31
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31

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
SCHEMBL20537498 1.00 TLR9 (0.41) TLR9TP53CTRB1CYP3A4ALOX15
SCHEMBL16795911 1.00 TLR9 (0.41) TLR9TP53CTRB1CYP3A4ALOX15
SCHEMBL20537485 0.83 TLR9 (0.44) TLR9TP53CTRB1NOS1NOS2
SCHEMBL15551409 0.83 TLR9 (0.44) TLR9TP53CTRB1NOS1NOS2
SCHEMBL15551650 0.83 TLR9 (0.44) TLR9TP53CTRB1NOS1NOS2
SCHEMBL16795979 0.83 TLR9 (0.46) TLR9TP53CTRB1FASNKDM1A
SCHEMBL16795866 0.83 TLR9 (0.46) TLR9TP53CTRB1FASNKDM1A
SCHEMBL16795913 0.81 TLR9 (0.41) TLR9TP53CTRB1NOS1NOS2
SCHEMBL17093410 0.80 TLR9 (0.44) TLR9TP53CTRB1ALDH1A1TSHR
SCHEMBL16808520 0.80 TLR9 (0.44) TLR9TP53CTRB1ALDH1A1TSHR

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