SCHEMBL10422606

SCHEMBL10422606

CCC(C)COC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ HSD17B10 Q99714 1/20 0.54
▸ ELANE P08246 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ SLC1A5 Q15758 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL9512465 0.96 MAPT (0.69) MAPTHSD17B10ELANELMNAGAA
SCHEMBL9493542 0.89 MAPT (0.78) MAPTHSD17B10TDP1LMNASLC1A5
SCHEMBL9493539 0.89 MAPT (0.78) MAPTHSD17B10TDP1LMNASLC1A5
SCHEMBL8956806 0.89 MAPT (0.78) MAPTHSD17B10TDP1LMNASLC1A5
SCHEMBL10423302 0.88 HSD17B10 (0.50) MAPTHSD17B10ELANETDP1LMNA
SCHEMBL10423314 0.87 MAPT (0.62) MAPTHSD17B10ELANELMNAGAA
SCHEMBL9511839 0.86 MAPT (0.61) MAPTTDP1LMNASLC1A5ADRB2
SCHEMBL10908261 0.86 MAPT (0.61) MAPTLMNASLC1A5ADRB2ADRB1
SCHEMBL10613424 0.86 MAPT (0.61) MAPTSLC1A5ADRB2ADRB1ADRB3
SCHEMBL10610558 0.86 MAPT (0.61) MAPTLMNASLC1A5ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174816-B1 BIPHENYL-BASED DIESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1990-05-23 — — EP disclosed
US-4831182-A Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1989-05-16 — — US disclosed
US-4695651-A Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1987-09-22 — — US disclosed
EP-0174816-A2 Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-03-19 — — EP disclosed
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