SCHEMBL8096022

SCHEMBL8096022

CC1(COCCCCCCCCCCOc2ccc(C(=O)O)cc2)COC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 7/20 0.55
RARB P10826 5/20 0.52
HTT P42858 2/20 0.52
PLA2G4A P47712 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1532562 1.00 TP53 (0.56) TP53TSHRPLA2G4BRARBHTT
SCHEMBL12353208 0.99 TP53 (0.54) TP53TSHRPLA2G4BRARBHTT
SCHEMBL7133856 0.96 RARB (0.59) TP53TSHRPLA2G4BRARBHTT
SCHEMBL7133129 0.96 RARB (0.59) TP53TSHRPLA2G4BRARBHTT
SCHEMBL7132348 0.96 RARB (0.59) TP53TSHRPLA2G4BRARBHTT
SCHEMBL6025789 0.96 PLA2G4B (0.52) TP53TSHRPLA2G4BRARBHTT
SCHEMBL6024892 0.88 LMNA (0.49) TP53TSHRPLA2G4BKMT2APOLB
SCHEMBL12312081 0.86 MAPT (0.56) HTTMEN1KMT2ATDP1GAA
SCHEMBL13882235 0.86 LMNA (0.48) TP53TSHRKMT2APOLBGAA
SCHEMBL1532520 0.85 KCNH2 (0.47) HTTPOLBTDP1GAA

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