SCHEMBL8729803

SCHEMBL8729803

CCCCC1(c2ccccc2CCC)CCC(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
HDAC4 P56524 1/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR5 Q9H228 3/20 0.34
S1PR4 O95977 2/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7513588 0.92 CASP1 (0.41) CASP1CASP7MEN1KMT2APOLB
SCHEMBL8725831 0.91 CYSLTR2 (0.43) CASP1CASP7CYSLTR2CYSLTR1S1PR1
SCHEMBL9189040 0.90 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR1S1PR3S1PR5
SCHEMBL8562488 0.84 HSD11B1 (0.39) MEN1KMT2APOLBHDAC4S1PR1
SCHEMBL11226164 0.81 TSHR (0.39) MEN1KMT2APOLBABL1RIN1
SCHEMBL8043547 0.81 L3MBTL1 (0.40) MEN1KMT2APOLBS1PR5
SCHEMBL10787898 0.81 HDAC4 (0.38) CASP1CASP7MEN1KMT2APOLB
SCHEMBL7511121 0.80 HSD11B1 (0.39) MEN1KMT2APOLBHDAC4S1PR1
SCHEMBL7507861 0.79 S1PR1 (0.38) MEN1KMT2APOLBCYSLTR2CYSLTR1
SCHEMBL3358667 0.78 MEN1 (0.35) MEN1KMT2APOLBCYSLTR2CYSLTR1

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