SCHEMBL1193435

SCHEMBL1193435

O=C(Nc1ccccc1)c1ccccc1CO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.72
ALDH1A1 P00352 2/20 0.68
ADRB2 P07550 1/20 0.68
TP53 P04637 2/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
HPGD P15428 3/20 0.62
LMNA P02545 3/20 0.62
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA4 P43681 1/20 0.61
CYP3A4 P08684 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL6815750 0.86 RAB9A (0.63) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL1072315 0.86 ALDH1A1 (0.73) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL19259498 0.85 BCAT2 (0.72) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL27819009 0.84 BCAT2 (0.70) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL18397802 0.84 BCAT2 (0.70) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL12700390 0.82 NPC1 (0.63) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL8971238 0.82 ALDH1A1 (0.73) BCAT2ALDH1A1ADRB2TP53RAB9A
SCHEMBL8019699 0.82 GAA (0.58) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL437231 0.82 ALDH1A1 (0.87) BCAT2ALDH1A1ADRB2TP53NPC1
SCHEMBL5595491 0.81 ALDH1A1 (0.71) BCAT2ALDH1A1ADRB2TP53NPC1

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-7883610-B2 Photolytic cell having an anode with a photoactive surface to convert water to oxygen and a cathode to convert carbon dioxide and hydrogen to solid or liquid medium; a light source for providing light photons to activate the photocatalyst surface; aircraft; aerospace; portable; breathing environment BATTELLE MEMORIAL INSTITUTE (US) 2011-02-08 US disclosed
US-20090061267-A1 POWER DEVICE AND OXYGEN GENERATOR BATTELLE MEMORIAL INSTITUTE (US) 2009-03-05 US disclosed
US-20060102468-A1 Photolytic oxygenator with carbon dioxide and/or hydrogen separation and fixation BATTELLE MEMORIAL INSTITUTE (US) 2006-05-18 US disclosed