SCHEMBL9724830

SCHEMBL9724830

CCC(C)CC(=O)Oc1ccc(-c2ccc(OC(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.57
ESR1 P03372 2/20 0.44
HIF1A Q16665 2/20 0.44
FFAR1 O14842 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL9724797 0.91 ELANE (0.57) ELANEESR1HIF1AFFAR1MAPT
SCHEMBL10422483 0.91 ELANE (0.57) ELANEESR1HIF1AFFAR1HSD17B10
SCHEMBL10421858 0.89 ELANE (0.58) ELANEESR1HIF1AFFAR1HSD17B10
SCHEMBL10358648 0.88 ELANE (0.57) ELANEESR1HIF1AFFAR1HSD17B10
SCHEMBL6937874 0.88 ELANE (0.57) ELANEESR1HIF1AFFAR1HSD17B10
Hydrochloric Acid SCHEMBL9724794 0.87 HSD17B10 (0.54) ELANEESR1HIF1AHSD17B10MAPT
SCHEMBL10423518 0.86 ELANE (0.56) ELANEESR1HIF1AFFAR1HSD17B10
SCHEMBL10421845 0.84 ELANE (0.53) ELANEESR1HIF1AHSD17B10MAPT
SCHEMBL27581241 0.83 ELANE (0.59) ELANEESR1HIF1AFFAR1MAPT
SCHEMBL10423597 0.82 ELANE (0.52) ELANEESR1HIF1AHSD17B10MAPT

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