SCHEMBL20537474

SCHEMBL20537474

[CH2][C@@H]1OC(C)(C)O[C@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HCRTR2 O43614 9/20 0.37
HCRTR1 O43613 7/20 0.37
KDM1A O60341 4/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TBXA2R P21731 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
SCHEMBL20537553 1.00 CYP3A4 (0.41) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL16796706 1.00 CYP3A4 (0.41) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL16377487 0.84 CYP3A4 (0.48) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL16339711 0.84 CYP3A4 (0.48) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL1940012 0.84 CYP3A4 (0.48) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL16339688 0.84 CYP3A4 (0.48) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL13958487 0.84 CYP3A4 (0.48) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL17821191 0.84 CYP3A4 (0.48) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL16796708 0.77 CYP3A4 (0.42) CYP3A4MAPK1HCRTR2HCRTR1KDM1A
SCHEMBL20537451 0.76 CPB1 (0.34) HCRTR2HCRTR1

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