SCHEMBL1845080

SCHEMBL1845080

COC(=O)c1cc2ccc(N3CCCC3)cc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPT P10636 8/20 0.38
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 4/20 0.37
NR4A1 P22736 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL5550993 0.95 MAPT (0.38) MAPTKMT2AALDH1A1NR4A1RAB9A
SCHEMBL1845404 0.93 KMT2A (0.43) MAPTKMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL7936515 0.92 KEAP1 (0.42) KEAP1NFE2L2MAPTKMT2AALDH1A1
SCHEMBL5549293 0.91 MAPT (0.39) KEAP1NFE2L2MAPTKMT2AALDH1A1
SCHEMBL5645606 0.90 MAPT (0.35) KEAP1NFE2L2MAPTKMT2AALDH1A1
SCHEMBL7971698 0.90 MAPT (0.38) KEAP1NFE2L2MAPTKMT2AALDH1A1
SCHEMBL7970242 0.89 L3MBTL1 (0.37) KEAP1NFE2L2MAPTKMT2AALDH1A1
SCHEMBL7479868 0.88 MEN1 (0.40) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL1848196 0.87 PLA2G2A (0.41) MAPTKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL5551024 0.85 KMT2A (0.42) MAPTKMT2AALDH1A1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971914-B1 NEUTRAL COLOURING PHOTOCHROMIC 2H-NAPHTHO 1,2-b PYRANS AND HETEROCYCLIC PYRANS VIVIMED LABS EUROP LTD (GB) 2011-05-18 EP disclosed