SCHEMBL1845583

SCHEMBL1845583

COC(=O)c1cc(O)c2cc(N3CCOCC3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RXFP1 Q9HBX9 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.49
PRKDC P78527 4/20 0.49
PIK3CA P42336 3/20 0.45
PIK3CB P42338 3/20 0.45
PIK3CD O00329 2/20 0.45
PIK3CG P48736 2/20 0.45
LCK P06239 1/20 0.45
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 3/20 0.44

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
SCHEMBL1645102 0.83 MRGPRX4 (0.60) MAPTMEN1KMT2ARXFP1NPC1
SCHEMBL1063179 0.78 ALDH1A1 (0.67) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL475555 0.77 MRGPRX4 (0.54) MAPTMEN1KMT2ARXFP1NPC1
SCHEMBL5054826 0.77 PRKDC (0.72) MAPTMEN1KMT2ARXFP1NPC1
SCHEMBL5058325 0.77 PRKDC (0.59) MAPTMEN1KMT2ARXFP1NPC1
SCHEMBL4250883 0.75 KMO (0.68) MAPTMEN1KMT2ARXFP1NPC1
SCHEMBL4357869 0.74 KMO (0.67) MAPTKMT2ANPC1SMN1; SMN2MRGPRX4
SCHEMBL26604551 0.73 PRKDC (0.58) MAPTMEN1KMT2ARXFP1NPC1
SCHEMBL6594488 0.72 SLC16A3 (0.57) MAPTMEN1KMT2ARXFP1NPC1
SCHEMBL10068824 0.72 KMO (0.56) MAPTMEN1KMT2ARXFP1NPC1

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 8 patents. 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
EP-1117656-B1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LTD (GB) 2002-05-29 EP disclosed
EP-1117656-A1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LIMITED (GB) 2001-07-25 EP disclosed
US-6248264-B1 WINDOWS OR EYEGLASS/SUNGLASS LENSES HAVING GOOD DARKENING AND LIGHTENING PERFORMANCE WITH HIGH OPTICAL DENSITY JAMES ROBINSON LIMITED (GB) 2001-06-19 US disclosed
WO-2000018755-A1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LIMITED (GB) 2000-04-06 WO disclosed
EP-0971914-A2 NEUTRAL COLOURING PHOTOCHROMIC 2$i(H)-NAPHTHO 1,2-$i(b)]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 2000-01-19 EP disclosed
WO-1999031081-A1 PH SENSITIVE PHOTOCHROMIC DYES JAMES ROBINSON LIMITED (GB) 1999-06-24 WO disclosed
WO-1998042693-A2 NEUTRAL COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 1998-10-01 WO disclosed