SCHEMBL20537693

SCHEMBL20537693

[CH2][C@@H]1OC(C)(C)O[C@H]1c1ccsc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.34
CYP19A1 P11511 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 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
SCHEMBL20537451 1.00 CPB1 (0.34) CPB1CYP19A1HCRTR1HCRTR2
SCHEMBL20537474 0.76 CYP3A4 (0.41) HCRTR1HCRTR2
SCHEMBL16796706 0.76 CYP3A4 (0.41) HCRTR1HCRTR2
SCHEMBL20537553 0.76 CYP3A4 (0.41) HCRTR1HCRTR2
SCHEMBL16808658 0.76 HCRTR1 (0.33) CPB1HCRTR1HCRTR2
SCHEMBL18169429 0.74 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL28368908 0.71 HSD17B10 (0.33) CPB1HCRTR1HCRTR2
SCHEMBL28368949 0.71 HSD17B10 (0.33) CPB1HCRTR1HCRTR2
SCHEMBL18169433 0.69 CPB1 (0.33) CPB1HCRTR1HCRTR2
SCHEMBL18176785 0.68 ALDH1A1 (0.46)

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-3079686-B1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY BIO PHARM SOLUTIONS CO LTD (KR) 2018-10-24 EP claimed
CN-106507667-B Sulfamate derivatives for the prevention or treatment of epilepsy 比皮艾思药物研发有限公司 2020-01-24 CN disclosed