SCHEMBL8727353

SCHEMBL8727353

CCCC1CCC(c2ccc(F)cc2)(C2(C(=O)O)CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.43
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A9 P48067 1/20 0.38
TRPA1 O75762 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
CACNA1G O43497 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8726233 0.92 HSD11B1 (0.40) HSD11B1KCNH2CACNA1ITRPA1SLC6A4
SCHEMBL8725824 0.87 SLC6A4 (0.39) HSD11B1SLC6A4SLC6A3SLC6A2MEN1
SCHEMBL8729811 0.85 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL8726981 0.80 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL8563389 0.79 MEN1 (0.45) HSD11B1KCNH2CACNA1IOPRM1MEN1
SCHEMBL8729401 0.78 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL10435375 0.77 CYP1A2 (0.35) HSD11B1KCNH2MEN1KMT2A
SCHEMBL8435345 0.74 OPRM1 (0.41) HSD11B1KCNH2CACNA1IOPRM1SLC6A9
SCHEMBL4802446 0.74 CYP1A2 (0.40) HSD11B1OPRM1SLC6A9TRPA1SLC6A4
SCHEMBL4802440 0.74 CYP1A2 (0.40) HSD11B1OPRM1SLC6A9TRPA1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed