SCHEMBL7941259

SCHEMBL7941259

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.38
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
GPR35 Q9HC97 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
NPC1 O15118 2/20 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
SCHEMBL1847688 0.91 GABRG2 (0.37) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL1845591 0.90 KDM4E (0.43) SLC16A3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7488070 0.85 ALDH1A1 (0.33) SLC16A3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23800896 0.85 SLC16A3 (0.41) SLC16A3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29565491 0.85 SLC16A3 (0.41) SLC16A3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7782083 0.85 KDM4E (0.44) SLC16A3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13868624 0.83 KDM4E (0.35) SLC16A3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5645606 0.82 MAPT (0.35) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL7936515 0.81 KEAP1 (0.42) SLC16A3KDM4EALDH1A1HPGDMAPT
SCHEMBL1848196 0.81 PLA2G2A (0.41) MAOAKDM4EALDH1A1HPGDHSD17B10

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