SCHEMBL9345545

SCHEMBL9345545

CCC(C)COC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 1.00
ALDH1A1 P00352 4/20 0.48
ADRB2 P07550 7/20 0.45
ADRB1 P08588 7/20 0.45
ADRB3 P13945 7/20 0.45
ESR1 P03372 2/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAOA P21397 1/20 0.43
SLC1A5 Q15758 1/20 0.43

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
SCHEMBL9345539 1.00 MAPT (1.00) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL29096681 0.98 MAPT (0.97) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5368475 0.93 MAPT (0.86) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11146237 0.91 MAPT (0.83) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8956806 0.88 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL442774 0.88 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9493542 0.88 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9493539 0.88 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL27103108 0.87 MAPT (0.77) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6937249 0.86 MAPT (0.76) MAPTALDH1A1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112888750-B Ceramic ink for inkjet digital printing 地板工业有限公司 2023-09-08 CN disclosed
CN-112041384-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2022-06-07 CN disclosed
CN-112041384-A Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-12-04 CN disclosed
WO-2020045901-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME 주식회사 엘지화학 2020-03-05 WO disclosed
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
EP-0110299-B2 SMECTIC LIQUID CRYSTAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS HITACHI, LTD. (JP) 1993-06-09 EP disclosed
EP-0329153-B1 NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-10-21 EP disclosed
EP-0329153-A2 Novel lactic acid derivatives and liquid crystal compositions containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-08-23 EP disclosed
EP-0110299-B1 SMECTIC LIQUID CRYSTAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS HITACHI, LTD. (JP) 1988-06-29 EP disclosed
US-4576732-A OPTICAL DISPLAYS HITACHI, LTD. (JP) 1986-03-18 US disclosed
EP-0110299-A2 Smectic liquid crystal compounds and liquid crystal compositions HITACHI, LTD. (JP) 1984-06-13 EP disclosed