SCHEMBL8744662

SCHEMBL8744662

CC(C)(C)c1cc(CCC(=O)Oc2ccc(C(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(O)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
AGTR1 P30556 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE4D Q08499 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL9457932 0.93 ALDH1A1 (0.51) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL8744589 0.92 GAA (0.39) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL431493 0.85 GAA (0.56) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL429811 0.84 GAA (0.52) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL17171771 0.82 ELANE (0.44) KMT2AALDH1A1LMNAHTTHPGD
SCHEMBL8744623 0.81 NR1H4 (0.51) GAAALDH1A1LMNAHTTHPGD
SCHEMBL29594097 0.81 GAA (0.57) GAAKMT2AALDH1A1LMNACYP1A2
SCHEMBL2252361 0.81 GAA (0.57) GAAKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL223804 0.81 GAA (0.49) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL11705905 0.80 GAA (0.51) GAAKMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5274170-A Substituted benzophenone stabilizers CIBA-GEIGY CORPORATION (US) 1993-12-28 US claimed
EP-0457723-B1 Method for the stabilization of magenta couplers and the resulting dye-images in photographic materials CIBA GEIGY AG (CH) 1997-01-22 EP disclosed
US-5274170-A Substituted benzophenone stabilizers CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed
US-5145766-A Benzoyl esters or sulfonates CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
EP-0457723-A2 Method for the stabilization of magenta couplers and the resulting dye-images in photographic materials CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed