SCHEMBL9724765

SCHEMBL9724765

CC[C@H](C)COC(=O)c1cc[c]cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
ALDH1A1 P00352 4/20 0.42
ADRB2 P07550 8/20 0.41
ADRB1 P08588 8/20 0.41
ADRB3 P13945 8/20 0.41
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL9724768 1.00 MAPT (0.69) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5368475 0.88 MAPT (0.86) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6953148 0.84 ALDH1A1 (0.55) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL510609 0.84 MAPT (0.49) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL9493542 0.83 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9493539 0.83 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8956806 0.83 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL442774 0.83 MAPT (0.78) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9407801 0.81 MAPT (0.76) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6937249 0.81 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100579-A POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1992-03-31 US disclosed
EP-0191600-B1 POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1991-12-27 EP disclosed
US-4911861-A Mixture of at least two components AJINOMOTO CO., INC. (JP) 1990-03-27 US disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed