SCHEMBL7941152

SCHEMBL7941152

Cc1cc(CCC(=O)NCCCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
KMT2A Q03164 2/20 0.50
HSPA5 P11021 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
CNR1 P21554 1/20 0.39
NR5A2 O00482 1/20 0.38
NR5A1 Q13285 1/20 0.38
VCAM1 P19320 2/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7940002 0.99 GAA (0.49) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7943132 0.96 GAA (0.51) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7941083 0.91 GAA (0.53) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7942495 0.88 GAA (0.50) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8607248 0.88 GAA (0.50) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7942468 0.87 GAA (0.49) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8606401 0.85 GAA (0.52) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7943061 0.84 GAA (0.51) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7941028 0.82 GAA (0.73) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7941452 0.81 GAA (0.45) GAAKMT2AMEN1CA2MAOA

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
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-6075159-A USE AS A STABILIZER FOR AN ORGANIC MATERIAL SUCH AS THERMOPLASTIC RESINS, THERMOSETTING RESINS, NATURAL OR SYNTHETIC RUBBERS, MINERAL OILS, LUBRICATING OILS, ADHESIVES AND PAINTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-13 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed