SCHEMBL8097427

SCHEMBL8097427

N=C1c2ccccc2CC1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
HRH1 P35367 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 4/20 0.36
NOS2 P35228 3/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP1 P53582 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 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
SCHEMBL8649339 0.77 ACHE (0.42) ACHEHRH1HRH4SMN1; SMN2NOS3
SCHEMBL29439854 0.76 HTR2A (0.55) ACHEHRH1HRH4SMN1; SMN2NOS3
SCHEMBL14870745 0.76 HTR2A (0.55) ACHEHRH1HRH4SMN1; SMN2NOS3
SCHEMBL32679178 0.74 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1093558 0.74 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL7338494 0.74 NOS3 (0.44) ACHEHRH1HRH4SMN1; SMN2NOS3
SCHEMBL30737574 0.74 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL32679177 0.74 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8336431 0.74 NOS3 (0.44) ACHEHRH1HRH4SMN1; SMN2NOS3
SCHEMBL7998826 0.74 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763005-B1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR INC (US) 2000-08-23 EP disclosed
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
US-5495054-A REDUCING PROCHIRAL KETONES TO ENANTIOMERICALLY PURE ALCOHOLS WITH BORANE REDUCING AGENT SEPRACOR, INC. (US) 1996-02-27 US 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