SCHEMBL8725831

SCHEMBL8725831

CCCCCc1ccccc1C1(CCCCC)CCC(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.43
CYSLTR1 Q9Y271 5/20 0.43
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
LIPG Q9Y5X9 1/20 0.38
CASP1 P29466 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
SCHEMBL9189040 0.99 CYSLTR2 (0.44) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL8729803 0.91 CASP1 (0.37) CYSLTR2CYSLTR1S1PR1S1PR3S1PR4
SCHEMBL7513588 0.89 CASP1 (0.41) CYSLTR2CYSLTR1S1PR5CASP1CASP7
SCHEMBL7511121 0.86 HSD11B1 (0.39) S1PR1S1PR3S1PR4S1PR5
SCHEMBL7507861 0.85 S1PR1 (0.38) CYSLTR2CYSLTR1S1PR1S1PR3S1PR4
SCHEMBL8562488 0.82 HSD11B1 (0.39) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3358667 0.82 MEN1 (0.35) CYSLTR2CYSLTR1S1PR1S1PR3S1PR4
SCHEMBL7514436 0.82 HTT (0.43) PPARA
SCHEMBL8044997 0.81 L3MBTL1 (0.39) S1PR1S1PR5
SCHEMBL11232446 0.81 TSHR (0.38) CYSLTR2CYSLTR1S1PR1S1PR3S1PR4

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