SCHEMBL27100548

SCHEMBL27100548

CCCC(C)COC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
ADRB2 P07550 6/20 0.44
ADRB1 P08588 6/20 0.44
ADRB3 P13945 6/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6444519 0.94 MAPT (0.50) MAPTALDH1A1LMNAADRB2ADRB1
SCHEMBL13625751 0.89 LOXL2 (0.47) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL29702405 0.87 LMNA (0.52) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL14770230 0.86 MAPT (0.59) MAPTKMT2AALDH1A1LMNAADRB2
SCHEMBL7783361 0.86 TDP1 (0.51) MAPTALDH1A1LMNAADRB2ADRB1
SCHEMBL28872467 0.86 MAPT (0.50) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2819868 0.85 MAPT (0.55) MAPTKMT2AALDH1A1ADRB2ADRB1
SCHEMBL27103108 0.85 MAPT (0.77) MAPTKMT2AALDH1A1LMNAADRB2
SCHEMBL4449731 0.83 CYP4F2 (0.49) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL10455395 0.83 ALDH1A1 (0.54) MAPTKMT2AALDH1A1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115885007-B Dihexyl phthalate plasticizer composition and resin composition containing same 株式会社LG化学 2024-04-12 CN disclosed
CN-116057118-B Isophthalate plasticizer composition and resin composition comprising the same 株式会社LG化学 2024-03-22 CN disclosed
CN-116057117-B Isophthalate plasticizer composition and resin composition containing the same 株式会社LG化学 2024-03-22 CN disclosed
US-20240002634-A1 ISOPHTHALATE-BASED PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-01-04 US disclosed
US-20230340228-A1 DIHEXYL BENZENE DICARBOXYLATE-BASED PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-10-26 US disclosed
US-20230331955-A1 ISOPHTHALATE-BASED PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-10-19 US disclosed
CN-116057117-A Isophthalate plasticizer composition and resin composition containing the same 株式会社LG化学 2023-05-02 CN disclosed
CN-116057118-A Isophthalate plasticizer composition and resin composition comprising the same 株式会社LG化学 2023-05-02 CN disclosed
CN-115885007-A Dihexyl phthalate plasticizer composition and resin composition containing same 株式会社LG化学 2023-03-31 CN disclosed