SCHEMBL18877342

SCHEMBL18877342

CC(C)(C)c1cc(CCC(=O)OCCCC(CC(CCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
ALOX5 P09917 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
APP P05067 1/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HMGCR P04035 2/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL3424147 0.85 GAA (0.46) GAAKMT2AMEN1ALOX5APP
SCHEMBL30577407 0.85 CNR2 (0.48) GAAKMT2ACNR1CNR2ALDH1A1
SCHEMBL283410 0.83 GAA (0.49) GAAKMT2AMEN1ALOX5APP
SCHEMBL10449059 0.83 GAA (0.56) GAAKMT2AMEN1ALOX5APP
SCHEMBL858491 0.83 GAA (0.56) GAAKMT2AMEN1ALOX5APP
SCHEMBL30331 0.82 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL20461221 0.82 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL20390738 0.82 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL7243879 0.82 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL753935 0.82 GAA (0.55) GAAKMT2AMEN1ALOX5APP

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-20170145188-A1 THERMOPLASTIC COMPOSITIONS SUITABLE FOR USE IN FILMS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-05-25 US disclosed