SCHEMBL3458245

SCHEMBL3458245

CCCCB(CCCC)OCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
EPHX1 P07099 1/20 0.36
ANPEP P15144 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.30
TRPM2 O94759 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4261185 0.82 ANPEP (0.39) TSHRANPEPADRB2ADRB1ADRB3
SCHEMBL1017192 0.82 ANPEP (0.39) ALDH1A1TSHRANPEPADRB2ADRB1
SCHEMBL8966928 0.78 THRB (0.40) MEN1KMT2ATSHRANPEPTHRB
SCHEMBL6359996 0.77 ANPEP (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4263648 0.75 THRB (0.35) MEN1KMT2ATSHRTHRB
SCHEMBL1140477 0.75 ADRB2 (0.38) MEN1KMT2AALDH1A1TSHRANPEP
SCHEMBL1582226 0.74 ANPEP (0.41) TSHRANPEPTHRB
SCHEMBL28543881 0.73 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8966564 0.72 ADRB2 (0.39) ALDH1A1TSHRANPEPADRB2ADRB1
Ethylenediamine SCHEMBL6550584 0.71 DNM1 (0.45) DNM1MEN1KMT2AALDH1A1TSHR

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-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