SCHEMBL3143388

SCHEMBL3143388

CC(C)(O)c1cc(O)c2cc(Br)ccc2c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
DPP4 P27487 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPK8 P45983 5/20 0.35
DCLK1 O15075 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
CSF1R P07333 1/20 0.34
FER P16591 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL3150964 0.85 LMNA (0.35) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15763606 0.85 LMNA (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3947944 0.79 CSNK2A2 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6823069 0.77 PDE4B (0.41) ALDH1A1KDM4ECDK2LMNATP53
SCHEMBL26513225 0.76 MEN1 (0.40) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1009822 0.75 SLC2A1 (0.39) ALDH1A1MAPTGAACSNK2A1LMNA
SCHEMBL9898544 0.74 KCNA5 (0.41) ALDH1A1MEN1KMT2ADPP4MAPT
SCHEMBL824275 0.72 ALDH1A1 (0.48) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL4584724 0.72 ALDH1A1 (0.48) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL4649729 0.71 DPP4 (0.40) PRNPPPARGRXFP1NR2E3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP disclosed
US-7556751-B2 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US disclosed