SCHEMBL9306701

SCHEMBL9306701

C=CCCCCCCOc1ccc(-c2ccc(C(=O)OC(=O)OC(CCCCCCCC)C(F)(F)F)cc2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.41
HDAC8 Q9BY41 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
RARB P10826 3/20 0.39
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PLA2G4B P0C869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC10A2 Q12908 1/20 0.36
THRA P10827 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
SCHEMBL9306705 0.95 PTPN11 (0.42) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL9056035 0.94 PTPN11 (0.46) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL9057349 0.94 PTPN11 (0.46) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL9057375 0.94 PTPN11 (0.46) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL10594661 0.94 PTPN11 (0.46) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL9058016 0.94 PTPN11 (0.46) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL8750117 0.94 PTPN11 (0.46) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL9056810 0.94 PTPN11 (0.46) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL10594668 0.89 PTPN11 (0.48) PTPN11HDAC8HDAC1HDAC2HDAC3
SCHEMBL10588443 0.89 PTPN11 (0.48) PTPN11HDAC8HDAC1HDAC2HDAC3

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
JP-6072964-A None JP disclosed
JP-H0672964-A LIQUID CRYSTALLINE MONOMER AND LIQUID CRYSTALLINE POLYMER USING THE SAME SHOWA SHELL SEKIYU KK 1994-03-15 JP disclosed