SCHEMBL541832

SCHEMBL541832

CC(C)CCCCOC(=O)OC1CCCCC1OC(=O)OCCCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RARB P10826 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
EPHX1 P07099 1/20 0.32
ESR1 P03372 1/20 0.32
NAAA Q02083 1/20 0.31
MMP2 P08253 1/20 0.30
MMP8 P22894 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
SCHEMBL1080632 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1079727 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1079146 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1077160 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1080849 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1079933 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1078533 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1078376 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1078195 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A
SCHEMBL1079411 0.98 APOBEC3A (0.35) APOBEC3AAPOBEC3GMEN1ALDH1A1KMT2A

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 61 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