SCHEMBL3671007

SCHEMBL3671007

CN(CCO)Cc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.44
TMEM97 Q5BJF2 9/20 0.44
PYCR1 P32322 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 2/20 0.40
CHEK1 O14757 1/20 0.40
BCHE P06276 1/20 0.40
F10 P00742 1/20 0.39
ACKR3 P25106 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL3672078 0.86 ACHE (0.44) ACHESMN1; SMN2
SCHEMBL3674783 0.82 LSS (0.48) PYCR1SMN1; SMN2
SCHEMBL11706284 0.80 ACHE (0.47) SIGMAR1TMEM97PYCR1ACHEBCHE
Hydrochloric Acid SCHEMBL2457698 0.79 ACHE (0.46) SIGMAR1TMEM97PYCR1ACHEBCHE
SCHEMBL4422777 0.78 RXRA (0.46) PYCR1SMN1; SMN2
SCHEMBL154857 0.76 CYP4A11 (0.50)
SCHEMBL5776546 0.76 CYP4A11 (0.57) SIGMAR1ACHEBCHESMN1; SMN2
SCHEMBL480503 0.76 EPHX2 (0.49) THRATHRBSMN1; SMN2
SCHEMBL4561898 0.76 EGFR (0.40)
SCHEMBL11714658 0.75 ACHE (0.43) SIGMAR1TMEM97PYCR1ACHEBCHE

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-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed