SCHEMBL7938728

SCHEMBL7938728

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(C(=O)O)cc4ccc(N5CCOCC5)cc4c3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
MAPT P10636 8/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
AKR1C3 P42330 1/20 0.41
HTT P42858 1/20 0.41
CDK2 P24941 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
HCRTR1 O43613 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL7936515 0.93 KEAP1 (0.42) SLC16A3MAPTKDM4EALDH1A1AKR1C3
SCHEMBL1845404 0.92 KMT2A (0.43) MAPTKDM4EALDH1A1AKR1C3HTT
SCHEMBL7479868 0.87 MEN1 (0.40) MAPTKDM4EALDH1A1AKR1C3HTT
SCHEMBL5551024 0.86 KMT2A (0.42) MAPTKDM4EALDH1A1HTTMEN1
SCHEMBL1845080 0.85 KEAP1 (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1845591 0.85 KDM4E (0.43) SLC16A3MAPTKDM4EALDH1A1AKR1C3
SCHEMBL5550214 0.84 KMT2A (0.47) MAPTKDM4EALDH1A1AKR1C3HTT
SCHEMBL8509702 0.83 MEN1 (0.43) SLC16A3MAPTKDM4EALDH1A1AKR1C3
SCHEMBL5649476 0.83 RAB9A (0.39) MAPTKDM4EALDH1A1AKR1C3MEN1
SCHEMBL5550993 0.81 MAPT (0.38) MAPTKDM4EALDH1A1HTTMEN1

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
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
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-1998042693-A2 NEUTRAL COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 1998-10-01 WO disclosed