SCHEMBL9058016

SCHEMBL9058016

CCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)OC(=O)OC(CCCCCC)C(F)(F)F)cc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.46
RARB P10826 3/20 0.44
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 4/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PDK2 Q15119 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL9056810 1.00 PTPN11 (0.46) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL10594661 1.00 PTPN11 (0.46) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL9057375 1.00 PTPN11 (0.46) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL8750117 1.00 PTPN11 (0.46) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL9056035 1.00 PTPN11 (0.46) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL9057349 1.00 PTPN11 (0.46) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL10594668 0.95 PTPN11 (0.48) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL10588443 0.95 PTPN11 (0.48) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL9306701 0.94 PTPN11 (0.41) PTPN11RARBHDAC3HDAC4HDAC1
SCHEMBL10439304 0.89 THRA (0.43) PTPN11RARBTHRATHRB

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
EP-0327349-B1 Liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1996-04-10 EP disclosed