SCHEMBL809319

SCHEMBL809319

CC(C)C(=O)Oc1cccc(C(=O)Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL809379 0.85 ELANE (0.58) ELANEKMT2AGAALMNANPC1
SCHEMBL539733 0.84 LMNA (0.59) ELANEMEN1KMT2AHTTCES2
SCHEMBL1167621 0.84 KMT2A (0.58) MEN1KMT2AHTTCES2CES1
SCHEMBL809353 0.82 ELANE (0.52) ELANEMEN1KMT2ALMNACYP3A4
SCHEMBL24250565 0.82 ELANE (0.73) ELANEMEN1KMT2ALMNACYP3A4
SCHEMBL31621467 0.79 ACHE (0.50) ELANEMEN1KMT2AHTTLMNA
SCHEMBL9875360 0.79 OGG1 (0.54) ELANEKMT2AHTTLMNACYP3A4
SCHEMBL26564348 0.79 LMNA (0.61) ELANEMEN1KMT2AHTTLMNA
SCHEMBL16300529 0.79 ELANE (0.59) ELANEMEN1KMT2AESR1ESR2
SCHEMBL28567642 0.78 ELANE (0.44) ELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802726-B1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF ADVANCED POLYMERIK PTY LTD (AU) 2011-11-30 EP disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
EP-1802726-A4 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LTD (AU) 2008-04-30 EP disclosed
EP-1802726-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF Polymers Australia PTY Limited (AU) 2007-07-04 EP disclosed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO disclosed