SCHEMBL542084

SCHEMBL542084

CC(C)CCOC(=O)OC1CCCCC1OC(=O)OCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL1077716 0.95 GAA (0.36) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL2466671 0.94 RAB9A (0.36) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1078168 0.94 APOBEC3A (0.35) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1079501 0.94 ALDH1A1 (0.36) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1078556 0.94 APOBEC3A (0.35) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1079979 0.92 APOBEC3A (0.34) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1078523 0.92 APOBEC3A (0.34) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1079652 0.91 APOBEC3A (0.33) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1076684 0.91 APOBEC3A (0.33) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1
SCHEMBL1076734 0.91 APOBEC3A (0.33) APOBEC3AAPOBEC3GALDH1A1KMT2AMEN1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603982-B1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2017-01-25 EP claimed
EP-2838945-B1 COMPOSITION COMPRISING AT LEAST ONE BIODEGRADABLE POLYMER AND AT LEAST ONE PLASTICISER BIO ON SPA (IT) 2016-06-08 EP claimed
JP-4664497-B2 2011-04-06 JP claimed
EP-1472312-B1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AG (DE) 2006-11-15 EP claimed
EP-1192212-B1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AG (DE) 2006-01-04 EP claimed
EP-1603982-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP claimed
WO-2004098547-A1 COSMETIC COMPOSITIONS COMPRISING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-11-18 WO claimed
EP-1475071-A1 Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-11-10 EP claimed
EP-1472312-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2004-11-03 EP claimed
WO-2004081127-A1 PRINTING INKS COMPRISING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO claimed
EP-1272033-B1 AGROTECHNICAL FORMULATION BASF AG (DE) 2004-06-09 EP claimed
WO-2003064512-A1 SINGLE PIECE CLOSURE DEVICE MADE OF PVC BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 WO claimed
EP-1042273-B1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AG (DE) 2003-05-07 EP claimed
EP-1272033-A1 AGROTECHNICAL FORMULATION BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP claimed
EP-1192212-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AKTIENGESELLSCHAFT (DE) 2002-04-03 EP claimed
JP-2001526252-A 2001-12-18 JP claimed
WO-2001067860-A1 AGROTECHNICAL FORMULATION BASF AKTIENGESELLSCHAFT (DE) 2001-09-20 WO claimed
WO-2000078853-A1 USE OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN THE PRODUCTION OF PLASTICS WHICH ARE RATED TOXICOLOGICALLY FAVOURABLE BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1042273-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 2000-10-11 EP claimed
WO-1999032427-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO claimed