SCHEMBL3626007

SCHEMBL3626007

CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)oc2c1.CCN(CC)c1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.80
IGLV6-57 P01721 6/20 0.80
HPGD P15428 4/20 0.80
GLA P06280 4/20 0.80
ATM Q13315 4/20 0.80
L3MBTL1 Q9Y468 3/20 0.80
CASP1 P29466 3/20 0.80
CASP7 P55210 3/20 0.80
HSD17B10 Q99714 3/20 0.80
CYP3A4 P08684 2/20 0.80
MAPK1 P28482 2/20 0.80
HIF1A Q16665 1/20 0.80
AR P10275 5/20 0.67
KDM4E B2RXH2 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
MAPT P10636 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 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
SCHEMBL144250 0.94 AR (0.75) ALDH1A1IGLV6-57HPGDGLAATM
SCHEMBL29551746 0.94 AR (0.75) ALDH1A1IGLV6-57HPGDGLAATM
SCHEMBL29362472 0.89 ALDH1A1 (1.00) ALDH1A1IGLV6-57HPGDGLAATM
SCHEMBL67108 0.89 ALDH1A1 (1.00) ALDH1A1IGLV6-57HPGDGLAATM
SCHEMBL384286 0.89 ALDH1A1 (1.00) ALDH1A1IGLV6-57HPGDGLAATM
SCHEMBL5918266 0.84 AR (0.61) ALDH1A1IGLV6-57HPGDGLAATM
SCHEMBL1771392 0.83 AR (0.59) ALDH1A1IGLV6-57HPGDGLAATM
Sulfuric Acid SCHEMBL25246703 0.82 ALDH1A1 (0.84) ALDH1A1IGLV6-57HPGDGLAATM
Sulfuric Acid SCHEMBL31121932 0.82 ALDH1A1 (0.84) ALDH1A1IGLV6-57HPGDGLAATM
SCHEMBL6743615 0.82 ALDH1A1 (0.63) ALDH1A1IGLV6-57HPGDGLAATM

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
EP-2188634-A1 FLUORESCENCE RESONANCE ENERGY TRANSFER DETECTION WITH NANOPARTICLES Carestream Health, Inc. (US) 2010-05-26 EP disclosed
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 WO disclosed
WO-2009032236-A1 FLUORESCENCE RESONANCE ENERGY TRANSFER DETECTION WITH NANOPARTICLES CARESTREAM HEALTH, INC. (US) 2009-03-12 WO disclosed