SCHEMBL8523254

SCHEMBL8523254

CCCCCNCCCN(C)C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PAOX Q6QHF9 3/20 0.40
S1PR2 O95136 5/20 0.39
S1PR4 O95977 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR5 Q9H228 1/20 0.39
DNM1 Q05193 2/20 0.38
EPHX1 P07099 5/20 0.38
SIGMAR1 Q99720 1/20 0.38
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
Diethanolamine SCHEMBL27598992 0.89 MMP1 (0.40) SMN1; SMN2PAOXDNM1EPHX1MMP1
SCHEMBL3878796 0.86 ACE2 (0.41) DNM1MMP1MMP3
SCHEMBL2846897 0.86 ACE2 (0.41) DNM1MMP1MMP3
SCHEMBL16967370 0.86 ACE2 (0.41) DNM1MMP1MMP3
SCHEMBL5495147 0.84 ACE2 (0.44) ALDH1A1TSHRDNM1MMP1MMP3
SCHEMBL3260568 0.84 ACE2 (0.40) DNM1MMP1MMP3
SCHEMBL11442609 0.84 ACE2 (0.44) ALDH1A1TSHRDNM1MMP1MMP3
SCHEMBL2175914 0.84 ACE2 (0.44) ALDH1A1TSHRDNM1MMP1MMP3
SCHEMBL7497648 0.84 ACE2 (0.44) ALDH1A1TSHRDNM1MMP1MMP3
SCHEMBL7500730 0.84 ACE2 (0.44) ALDH1A1TSHRDNM1MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038444-B1 METHOD FOR THE REMOVAL OF SMELLING MATERIALS FROM EXHAUST AIR Anton Steinecker Maschinenfabrik GmbH (DE) 1983-10-19 EP claimed
US-5985994-A RTV POLYSILOXANES FORMED BY CATALYTIC POYMERIZATION OF MONOMERS AND COPOLYMERIZATION WITH GLYCOLS WACKER-CHEMIE GMBH (DE) 1999-11-16 US disclosed
EP-0828794-A1 AQUEOUS DISPERSIONS OF ORGANOPOLYSILOXANES Wacker-Chemie GmbH (DE) 1998-03-18 EP disclosed
WO-1996037556-A1 AQUEOUS DISPERSIONS OF ORGANOPOLYSILOXANES WACKER-CHEMIE GMBH (DE) 1996-11-28 WO disclosed
US-5045231-A Blend of organopolysiloxane, catalyst, and diorganosilanolate WACKER-CHEMIE GMBH (DE) 1991-09-03 US disclosed
US-4918131-A POLYDIORGANOSILOXANES, ORGANOMETALLIC CONDENSATION CATALYSTS, AND HIGH MOLECULAR WEIGHT, TOLUENE-INSOLUBLE SILICONE RESIN WACKER-CHEMIE GMBH (DE) 1990-04-17 US disclosed
US-4816506-A METALLIC COMPOUND, SILICONATE TO FORM CURABLE COATING WACKER-CHEMIE GMBH (DE) 1989-03-28 US disclosed
US-4507491-A Process for preparing 1-nitrobenzene-2-alkyloxycarbonyl-5-carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-26 US disclosed