SCHEMBL3150964

SCHEMBL3150964

CC(C)(O)c1cc(O)c2ccccc2c1-c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
ACP1 P24666 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
PTGS2 P35354 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
IDO1 P14902 2/20 0.32
ALOX5 P09917 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
TNKS O95271 1/20 0.31

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
SCHEMBL15763606 0.87 LMNA (0.39) LMNAHTTMAPTALDH1A1TRPM4
SCHEMBL3143388 0.85 PRNP (0.39) LMNAMAPK1MAPTALDH1A1PTGS2
SCHEMBL26513225 0.81 MEN1 (0.40) LMNAHTTMAPTALDH1A1TRPM4
SCHEMBL1009822 0.80 SLC2A1 (0.39) LMNAMAPK1MAPTALDH1A1IDO1
SCHEMBL9898544 0.73 KCNA5 (0.41) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL3947944 0.73 CSNK2A2 (0.39) LMNAMAPK1MAPTALDH1A1CNR1
SCHEMBL6823069 0.71 PDE4B (0.41) LMNAALDH1A1KDM4E
SCHEMBL586251 0.70 KIF11 (0.47) MAPK1MAPTACP1ALDH1A1PTGS2
SCHEMBL29511820 0.70 KIF11 (0.47) MAPK1MAPTACP1ALDH1A1PTGS2
SCHEMBL27165402 0.70 ALDH1A1 (0.36) MAPTALDH1A1CNR1CNR2KDM4E

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
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
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP disclosed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO disclosed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US disclosed