SCHEMBL825028

SCHEMBL825028

C=CC(=O)OCCCOc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
ALDH1A1 P00352 8/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 9/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.42
ESR1 P03372 1/20 0.42
AR P10275 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
ESRRG P62508 1/20 0.42

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
SCHEMBL246239 0.95 THRB (0.55) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL1690817 0.93 THRB (0.58) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL11132915 0.92 THRB (0.55) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL21154699 0.91 TSHR (0.59) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL7625535 0.91 THRB (0.51) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL7630968 0.91 THRB (0.51) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL5899547 0.90 THRB (0.61) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL11177318 0.89 THRB (0.61) THRBALDH1A1TSHRHPGDHTT
SCHEMBL14173110 0.88 THRB (0.65) THRBALDH1A1GAAKDM4ETSHR
SCHEMBL137572 0.88 THRB (0.65) THRBALDH1A1GAAKDM4ETSHR

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
US-8142929-B2 Positive electrode for non-aqueous electrolyte battery and non-aqueous electrolyte battery SANYO ELECTRIC CO., LTD. (JP) 2012-03-27 US disclosed
US-8142929-B2 Positive electrode for non-aqueous electrolyte battery and non-aqueous electrolyte battery SANYO ELECTRIC CO., LTD. (JP) 2012-03-27 US disclosed
US-20110223479-A1 Positive electrode for non-aqueous electrolyte battery and non-aqueous electrolyte battery NIPPON SODA CO., LTD. (JP) 2011-09-15 US disclosed
US-20110223479-A1 Positive electrode for non-aqueous electrolyte battery and non-aqueous electrolyte battery NIPPON SODA CO., LTD. (JP) 2011-09-15 US disclosed