SCHEMBL9016853

SCHEMBL9016853

CCCCCCCCCCCCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(CCCCCCCCCCCC)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.64
THRA P10827 8/20 0.64
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RARB P10826 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RARA P10276 1/20 0.58
MTOR P42345 1/20 0.58
NPC1 O15118 2/20 0.57
LMNA P02545 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL8380722 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8357893 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9514956 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL11135663 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8375690 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9341873 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9342490 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9571636 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8021213 0.98 THRB (0.62) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9511143 0.98 THRB (0.62) THRBTHRAMAPTSMN1; SMN2RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1582506-A Substituted pentacene semiconductors 3M INNOVATIVE PROPERTIES CO (US) 2005-02-16 CN disclosed
EP-0453010-B1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INT RESEARCH (NL) 1996-06-05 EP disclosed
EP-0453010-A1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-23 EP disclosed