SCHEMBL7796447

SCHEMBL7796447

CCCCCC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
KMT2A Q03164 4/20 0.53
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VCAM1 P19320 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5929167 0.96 GAA (0.47) GAAKMT2ATHRATHRBMEN1
SCHEMBL9174972 0.90 GAA (0.59) GAAKMT2ATHRATHRBMEN1
Octane SCHEMBL8468280 0.90 GAA (0.59) GAAKMT2ATHRATHRBMEN1
SCHEMBL7794928 0.88 THRA (0.42) GAAKMT2ATHRATHRBNPSR1
SCHEMBL7794905 0.88 THRA (0.42) GAAKMT2ATHRATHRBRXRA
Stearic Acid SCHEMBL1592198 0.88 GAA (0.57) GAAKMT2ATHRATHRBMEN1
SCHEMBL8405268 0.87 THRA (0.41) GAAKMT2ATHRATHRBRXRA
SCHEMBL7792903 0.86 GAA (0.43) GAAKMT2ATHRATHRBMEN1
Butane SCHEMBL11762703 0.86 GAA (0.64) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL29128748 0.85 GAA (0.54) GAAKMT2ATHRATHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed