SCHEMBL6443243

SCHEMBL6443243

CC(C)Cc1ccc(C(=O)O)c(CC(C)C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
AKR1C2 P52895 2/20 0.39
ADRB3 P13945 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I3 Q14994 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
SCHEMBL6014068 0.87 PTGS1 (0.42) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL77326 0.86 LMNA (0.39) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL27494885 0.85 LMNA (0.39) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL6834122 0.85 ALDH1A1 (0.34) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL1950367 0.83 CYP1A2 (0.44) LMNAALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL27475387 0.83 LMNA (0.39) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL6574116 0.82 ACE2 (0.35) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL6447618 0.82 MAPT (0.36) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL722686 0.81 LMNA (0.38) LMNAMEN1HPGDKMT2AALDH1A1
Phthalic Acid SCHEMBL31462355 0.81 ALDH1A1 (0.44) LMNAMEN1HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
EP-2576674-B1 PROCESS FOR MAKING EXPANDABLE COMPOSITIONS BASED ON STYRENEPOLYMER BASF SE (DE) 2014-08-27 EP disclosed
EP-2576674-A1 METHOD FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS BASF SE (DE) 2013-04-10 EP disclosed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed