SCHEMBL3326052

SCHEMBL3326052

[c]1cccc2cc3cc4cc5ccc6cc7cc8cc9ccccc9cc8cc7cc6c5cc4cc3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
HSD17B10 Q99714 6/20 0.45
HIF1A Q16665 2/20 0.45
CYP1B1 Q16678 1/20 0.45
CYP1A2 P05177 4/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL264415 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL27813028 0.98 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL194896 0.96 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL21464320 0.94 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL25147 0.90 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL28997726 0.90 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL28474556 0.90 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL15366695 0.90 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL29033245 0.90 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL6552445 0.89 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404821-B2 Production of organic solvent solutions of rare-earth organophosphates RHODIA OPERATIONS (FR) 2013-03-26 US disclosed
US-20100280264-A1 PRODUCTION OF ORGANIC SOLVENT SOLUTIONS OF RARE-EARTH ORGANOPHOSPHATES RHODIA OPERATIONS (FR) 2010-11-04 US disclosed
US-20100137129-A1 PREPARATION OF SOLUTIONS OF RARE-EARTH ORGANOPHOSPHATES RHODIA OPERATIONS (FR) 2010-06-03 US disclosed
EP-0743519-B1 Improved method and reagent composition for performing leukocyte differential counts on fresh and aged whole blood samples, based on intrinsic peroxidase activity of leukocytes BAYER AG (US) 2002-08-28 EP disclosed
EP-0743519-A2 Improved method and reagent composition for performing leukocyte differential counts on fresh and aged whole blood samples, based on intrinsic peroxidase activity of leukocytes Bayer Corporation (US) 1996-11-20 EP disclosed
US-4223071-A ANTITRACKING ADDITIVES, RESISTANCE TO HIGH VOLTAGE ERROSION RAYCHEM CORPORATION (US) 1980-09-16 US disclosed
US-4219607-A High voltage insulating compositions containing phosphorus compounds RAYCHEM CORPORATION (US) 1980-08-26 US disclosed
US-4198310-A High voltage insulating compositions containing organic polymerizable phosphorus compounds RAYCHEM CORPORATION (US) 1980-04-15 US disclosed