SCHEMBL11116545

SCHEMBL11116545

CC(C)CCCCCCCc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.41
HIF1A Q16665 3/20 0.40
EPAS1 Q99814 2/20 0.40
SIGMAR1 Q99720 4/20 0.35
LMNA P02545 3/20 0.35
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
PKM P14618 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SHBG P04278 1/20 0.34

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
SCHEMBL941931 1.00 FUT7 (0.41) FUT7HIF1AEPAS1SIGMAR1LMNA
SCHEMBL941936 1.00 FUT7 (0.41) FUT7HIF1AEPAS1SIGMAR1LMNA
SCHEMBL1455235 1.00 FUT7 (0.41) FUT7HIF1AEPAS1SIGMAR1LMNA
SCHEMBL5204239 1.00 FUT7 (0.41) FUT7HIF1AEPAS1SIGMAR1LMNA
SCHEMBL814782 0.98 FUT7 (0.38) FUT7HIF1AEPAS1SIGMAR1LMNA
Hydrogen Sulfide SCHEMBL28015420 0.96 FUT7 (0.39) FUT7HIF1AEPAS1SIGMAR1LMNA
SCHEMBL814842 0.92 GRIN2D (0.40) FUT7HIF1AEPAS1SIGMAR1LMNA
SCHEMBL9674172 0.85 TRPA1 (0.37) HIF1ASIGMAR1LMNAESR1ADRA2A
SCHEMBL24072 0.83 AOC3 (0.34) LMNAPKMALDH1A1
SCHEMBL11690401 0.82 SIGMAR1 (0.41) HIF1ASIGMAR1LMNAESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021626-B1 SALTS OF PHOSPHORIC ACID DIESTERS, THEIR PREPARATION AND USE IN MEMBRANES, THE MEMBRANES AND THEIR USE IN CALCIUM ION DETERMINATION, AND THE ELECTRODES CONTAINING THEM BECKMAN INSTRUMENTS, INC. (US) 1984-01-18 EP claimed
US-4369317-A CALCIUM ION SELECTIVE MEMBRANE BECKMAN INSTRUMENTS, INC. (US) 1983-01-18 US claimed
US-4338440-A CALCIUM ION SELECTIVE MEMBRANE COMPONENT BECKMAN INSTRUMENTS, INC. (US) 1982-07-06 US claimed
US-4271002-A Calcium ion-selective electrodes and membrane for use therein BECKMAN INSTRUMENTS, INC. (US) 1981-06-02 US claimed
EP-0021626-A1 Salts of phosphoric acid diesters, their preparation and use in membranes, the membranes and their use in calcium ion determination, and the electrodes containing them BECKMAN INSTRUMENTS, INC. (US) 1981-01-07 EP claimed
EP-0021626-B1 SALTS OF PHOSPHORIC ACID DIESTERS, THEIR PREPARATION AND USE IN MEMBRANES, THE MEMBRANES AND THEIR USE IN CALCIUM ION DETERMINATION, AND THE ELECTRODES CONTAINING THEM BECKMAN INSTRUMENTS, INC. (US) 1984-01-18 EP disclosed
US-4369317-A CALCIUM ION SELECTIVE MEMBRANE BECKMAN INSTRUMENTS, INC. (US) 1983-01-18 US disclosed
US-4338440-A CALCIUM ION SELECTIVE MEMBRANE COMPONENT BECKMAN INSTRUMENTS, INC. (US) 1982-07-06 US disclosed
US-4271002-A Calcium ion-selective electrodes and membrane for use therein BECKMAN INSTRUMENTS, INC. (US) 1981-06-02 US disclosed
EP-0021626-A1 Salts of phosphoric acid diesters, their preparation and use in membranes, the membranes and their use in calcium ion determination, and the electrodes containing them BECKMAN INSTRUMENTS, INC. (US) 1981-01-07 EP disclosed