SCHEMBL8779726

SCHEMBL8779726

OC[C@H](Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TRPA1 O75762 5/20 0.45
LMNA P02545 1/20 0.41
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GSR P00390 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL1146364 1.00 TSHR (0.50) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL8779745 1.00 TSHR (0.50) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL8508929 0.86 PGK1 (0.36) TSHRTRPA1LMNAL3MBTL1
Sulfamate SCHEMBL9451490 0.85 SRC (0.46) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL11043163 0.85 SRC (0.46) TSHRTRPA1LMNAKDM4ECYP2D6
SCHEMBL6827761 0.80 TRPA1 (0.48) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL7982428 0.80 TRPA1 (0.48) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL26128508 0.80 TRPA1 (0.48) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL9425022 0.78 TSHR (0.55) TSHRTRPA1LMNAHTR2ATAAR1
SCHEMBL22042229 0.78 TSHR (0.55) TSHRHTR2ATAAR1DPP4F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763005-A4 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR INC (US) 1997-10-22 EP disclosed
EP-0763005-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1997-03-19 EP disclosed
WO-1995032937-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1995-12-07 WO disclosed