SCHEMBL7182529

SCHEMBL7182529

Cc1cc(CCC(=O)OCCCCCCCCCCC(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX5 P09917 2/20 0.37
ESR1 P03372 1/20 0.36
CNR2 P34972 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
HMGCR P04035 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CNR1 P21554 2/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL284586 1.00 GAA (0.41) GAAKMT2AMEN1ALOX5ESR1
SCHEMBL283348 1.00 GAA (0.41) GAAKMT2AMEN1ALOX5ESR1
SCHEMBL30361229 1.00 GAA (0.41) GAAKMT2AMEN1ALOX5ESR1
SCHEMBL283621 1.00 GAA (0.41) GAAKMT2AMEN1ALOX5ESR1
SCHEMBL284374 1.00 GAA (0.41) GAAKMT2AMEN1ALOX5ESR1
SCHEMBL284557 0.99 GAA (0.41) GAAKMT2AMEN1ALOX5ESR1
SCHEMBL283441 0.95 GAA (0.42) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL578411 0.93 GAA (0.47) GAAKMT2AMEN1ALOX5CNR2
SCHEMBL191486 0.93 GAA (0.47) GAAKMT2AMEN1ALOX5CNR2
SCHEMBL284516 0.93 GAA (0.47) GAAKMT2AMEN1ALOX5CNR2

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
US-6596796-B1 Emulsion crude rubber, synthetic latex or natural rubber latex subject to oxidative, thermal, dynamic and/or light- induced degradation, and as stabilizer at least one compound of formula I CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-22 US disclosed