SCHEMBL8095880

SCHEMBL8095880

CCCC(CCC)OC(=O)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.49
PRKCD Q05655 2/20 0.49
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 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
SCHEMBL10448638 0.86 TSHR (0.43) PRKCAPRKCDSLC6A2SLC6A4SLC6A3
SCHEMBL6945710 0.82 CA12 (0.43) MEN1KMT2ATSHRCA12CA1
SCHEMBL5725942 0.82 LMNA (0.55) PRKCAPRKCDSLC6A2SLC6A3MEN1
SCHEMBL28724465 0.81 PRKCA (0.55) PRKCAPRKCDMEN1KMT2ATSHR
SCHEMBL7122108 0.81 CA12 (0.59) PRKCAPRKCDSLC6A2SLC6A3MEN1
SCHEMBL5374728 0.80 PRKCA (0.66) PRKCAPRKCDSLC6A2SLC6A4SLC6A3
SCHEMBL8946795 0.80 ALDH1A1 (0.50) PRKCAPRKCDKMT2ATSHRCA12
SCHEMBL8747431 0.80 TSHR (0.39) PRKCAPRKCDSLC6A2SLC6A4SLC6A3
SCHEMBL8747460 0.79 PRKCA (0.41) PRKCAPRKCDSLC6A2SLC6A4SLC6A3
SCHEMBL17350260 0.78 PRKCA (0.48) PRKCAPRKCDSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060226-A1 LIQUID CRYSTAL POLYMER DEVICES AND MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-12-20 EP disclosed
WO-1999043763-A1 LIQUID CRYSTAL POLYMER DEVICES AND MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-09-02 WO disclosed