SCHEMBL9871781

SCHEMBL9871781

CC(C)COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
KMT2A Q03164 3/20 0.33
PTGER1 P34995 6/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL22080755 0.92 GAA (0.33) GAAMAOBMAOAKMT2AACHE
SCHEMBL22080759 0.90 CNR2 (0.36) GAAMAOBMAOAKMT2AACHE
SCHEMBL106255 0.90 GAA (0.36) GAAMAOBMAOAKMT2AACHE
SCHEMBL6107662 0.90 GAA (0.39) GAAMAOBMAOAKMT2AMEN1
SCHEMBL31147816 0.90 GAA (0.39) GAAMAOBMAOAKMT2AMEN1
SCHEMBL9871543 0.90 GAA (0.39) GAAMAOBMAOAKMT2AACHE
SCHEMBL7525719 0.88 GAA (0.38) GAAMAOBMAOAKMT2AACHE
SCHEMBL3288191 0.88 ALOX5 (0.36) GAAMAOBMAOAKMT2AACHE
SCHEMBL769282 0.88 EPHX2 (0.32) GAAMAOBMAOAKMT2AACHE
SCHEMBL78795 0.88 GAA (0.42) GAAMAOBMAOAKMT2AACHE

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-5032498-A Soluble stabilizers CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4973702-A AMIDES AND ESTERS, UV STABILIZERS FOR PLASTICS AND PHOTOGRAPHIC MATERIALS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
US-4853471-A 2-(2-Hydroxyphenyl)-benztriazoles, their use as UV-absorbers and their preparation CIBA-GEIGY CORPORATION (US) 1989-08-01 US disclosed
EP-0057160-B1 2-(2-HYDROXYPHENYL)-BENZOTRIAZOLES, THEIR USE AS ULTRAVIOLET STABILIZERS AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
EP-0057160-A1 2-(2-Hydroxyphenyl)-benzotriazoles, their use as ultraviolet stabilizers and their preparation CIBA-GEIGY AG (CH) 1982-08-04 EP disclosed