SCHEMBL6673030

SCHEMBL6673030

COc1ccccc1C(=Cc1ccc(N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
KMT2A Q03164 6/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 5/20 0.50
HCRTR1 O43613 1/20 0.50
AHR P35869 1/20 0.49
GFER P55789 1/20 0.49
TYR P14679 1/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL6672796 0.89 MAPT (0.62) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL6576793 0.81 AKR1C2 (0.56) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL19436969 0.73 MAPT (0.52) MAPTRAB9AKMT2ALMNAALDH1A1
SCHEMBL19436968 0.73 MAPT (0.52) MAPTRAB9AKMT2ALMNAALDH1A1
SCHEMBL23295247 0.72 MEN1 (0.58) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL1644942 0.72 HIF1A (0.57) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL1644930 0.71 MAPT (0.57) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL18694393 0.71 MEN1 (0.52) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL18694390 0.71 MEN1 (0.52) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL8474827 0.70 CA12 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2POLB

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-1458695-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-09-22 EP disclosed
WO-2003057679-A9 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE (US) 2004-02-26 WO disclosed
WO-2003057679-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-07-17 WO disclosed