SCHEMBL9724797

SCHEMBL9724797

CCC(C)CC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.57
MAPT P10636 2/20 0.50
FFAR1 O14842 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
ESR1 P03372 1/20 0.44
HIF1A Q16665 1/20 0.44
ASAH1 Q13510 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL9724830 0.91 ELANE (0.57) ELANEMAPTFFAR1CYP1A2GAA
SCHEMBL27581241 0.90 ELANE (0.59) ELANEMAPTFFAR1CYP1A2GAA
SCHEMBL10421858 0.89 ELANE (0.58) ELANEMAPTFFAR1GAAESR1
SCHEMBL6937283 0.88 MMP12 (0.54) ELANEFFAR1
SCHEMBL10422483 0.88 ELANE (0.57) ELANEMAPTFFAR1GAAPKM
SCHEMBL10358648 0.88 ELANE (0.57) ELANEMAPTFFAR1ESR1HIF1A
SCHEMBL6937874 0.88 ELANE (0.57) ELANEMAPTFFAR1ESR1HIF1A
Hydrochloric Acid SCHEMBL9724794 0.87 HSD17B10 (0.54) ELANEMAPTESR1HIF1ASMN1; SMN2
SCHEMBL10423518 0.86 ELANE (0.56) ELANEMAPTFFAR1GAAESR1
SCHEMBL10421845 0.84 ELANE (0.53) ELANEMAPTESR1HIF1ASMN1; SMN2

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 5 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