SCHEMBL1819239

SCHEMBL1819239

OCCOc1ccc(C(O)C#Cc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
SYK P43405 1/20 0.40
ACACB O00763 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRKDC P78527 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 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
SCHEMBL1821168 0.84 MAPT (0.49) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL163754 0.84 MAPT (0.49) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1820200 0.84 ACACB (0.38) MAPTKDM4ESMN1; SMN2MAPK1ACACB
SCHEMBL4857099 0.82 MAPT (0.52) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5170201 0.81 MAPT (0.42) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4649497 0.80 KDM4E (0.46) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4649145 0.80 LMNA (0.49) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8358624 0.80 GRM5 (0.51) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL5172544 0.77 APP (0.41) MEN1KMT2AACACBALDH1A1
SCHEMBL1819985 0.77 MCHR1 (0.48) ACACBCYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 WO disclosed
EP-1776436-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2007-04-25 EP disclosed
WO-2006022825-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2006-03-02 WO disclosed