SCHEMBL6652346

SCHEMBL6652346

CCCCN1CCCCCC1=O.CCCN1CCCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.43
PIK3CD O00329 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL664516 0.96 L3MBTL1 (0.46) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL11994179 0.96 L3MBTL1 (0.46) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL10481709 0.96 L3MBTL1 (0.46) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL10427076 0.96 L3MBTL1 (0.46) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL4611720 0.96 L3MBTL1 (0.46) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL1527589 0.94 RAB9A (0.46) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL8654445 0.93 PIK3CD (0.48) RAB9APIK3CDKMT2AMEN1KDM4E
SCHEMBL608052 0.93 L3MBTL1 (0.49) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL4425362 0.91 L3MBTL1 (0.45) L3MBTL1RAB9APIK3CDKMT2AMEN1
SCHEMBL1117522 0.91 PIK3CD (0.48) L3MBTL1RAB9APIK3CDKMT2AMEN1

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-1432405-A1 IBUPROFEN SALT EMULSIFIERS AND CREAM FORMULATIONS CONTAINING SAME MacroChem Corporation (US) 2004-06-30 EP disclosed
WO-2003028702-A1 IBUPROFEN SALT EMULSIFIERS AND CREAM FORMULATIONS CONTAINING SAME MACROCHEM CORPORATION (US) 2003-04-10 WO disclosed
US-4919911-A REACTING DIHALOGENATED AROMATIC HYDROCARBON, ALKALI SULFIDE AND/OR HYDROGEN SULFIDE, REMOVING VOLATILES, CALCINING IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1990-04-24 US disclosed