SCHEMBL7940002

SCHEMBL7940002

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KMT2A Q03164 3/20 0.49
HSPA5 P11021 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
CNR1 P21554 1/20 0.38
NAAA Q02083 1/20 0.38
PYGL P06737 1/20 0.37
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
MAOA P21397 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
SCHEMBL7941152 0.99 GAA (0.50) GAAKMT2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7943132 0.95 GAA (0.51) GAAKMT2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7941083 0.90 GAA (0.53) GAAKMT2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7942468 0.88 GAA (0.49) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7942495 0.87 GAA (0.50) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8607248 0.87 GAA (0.50) GAAKMT2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL8606401 0.84 GAA (0.52) GAAKMT2AHSPA5SMN1; SMN2CYP2C9
SCHEMBL7943061 0.83 GAA (0.51) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7943176 0.83 GAA (0.71) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7933906 0.82 KMT2A (0.44) GAAKMT2ASMN1; SMN2MEN1ALDH1A1

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