SCHEMBL3457445

SCHEMBL3457445

Cc1ccc(B2OCCN(C)CCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.34
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MEN1 O00255 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6693261 0.83 ACHE (0.40)
SCHEMBL3457590 0.83 ATM (0.42) KMT2AOPRM1CYP2D6MEN1HRH3
SCHEMBL3457557 0.83 LPL (0.41) KMT2ACYP2D6MEN1HTR2AHTR2C
SCHEMBL2075021 0.83 ALDH1A1 (0.41) HRH3
SCHEMBL12989225 0.82 POLB (0.39) OPRM1CYP2D6HTR2AHTR2C
SCHEMBL31336176 0.80 NPSR1 (0.42) PKM
SCHEMBL31336174 0.80 ALDH1A1 (0.38) KMT2ACYP2D6MEN1HRH3
SCHEMBL31336177 0.80 NPSR1 (0.42) PKM
SCHEMBL7591877 0.79 ACHE (0.36) PKM
SCHEMBL31336364 0.79 GAA (0.33) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024232325-A1 DIOXAZABOROCANE DERIVATIVE 国立大学法人 東京医科歯科大学 2024-11-14 WO claimed
WO-2024232325-A1 DIOXAZABOROCANE DERIVATIVE 国立大学法人 東京医科歯科大学 2024-11-14 WO disclosed
EP-1582250-B2 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2022-03-09 EP disclosed
EP-1582250-B1 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2013-05-15 EP disclosed
US-7666813-B2 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2010-02-23 US disclosed
EP-1582250-A2 Absorbent with improved ocidation resistance and process for deacidifying fluid fluxes BASF AKTIENGESELLSCHAFT (DE) 2005-10-05 EP disclosed
US-20050202967-A1 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 US disclosed