SCHEMBL6132093

SCHEMBL6132093

COC(=O)C(=Cc1ccc(OC)c(OC)c1)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NFE2L2 Q16236 1/20 0.54
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.47
AKR1C3 P42330 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
STAT1 P42224 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
SCHEMBL6132092 1.00 GAA (0.55) GAATDP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL10335578 0.90 GAA (0.56) GAATDP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL10335328 0.90 GAA (0.56) GAATDP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL5351001 0.85 PDE4B (0.55) POLB
SCHEMBL5350996 0.85 PDE4B (0.55) POLB
SCHEMBL5351006 0.85 PDE4B (0.55) POLB
SCHEMBL27424699 0.85 RECQL (0.44) GAATDP1ALDH1A1KDM4EHTT
SCHEMBL6819120 0.83 AKR1C3 (0.51) GAATDP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL6819118 0.83 AKR1C3 (0.51) GAATDP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL26667031 0.82 GAA (0.48) GAATDP1NFE2L2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP disclosed
EP-1214310-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
US-6348604-B1 COMPOUNDS IN WHICH SELECTION AND PLACEMENT OF SUBSTITUENTS CONTROL WAVELENGTH AND/OR INTENSITY OF VISIBLE ABSORBANCE BANDS PPG INDUSTRIES OHIO, INC. 2002-02-19 US disclosed
WO-2001019812-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed