SCHEMBL7047564

SCHEMBL7047564

CC(C)(C)c1ccc(C(C)(C)C)c(O)c1.CC(C)(C)c1cccc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.63
ALDH1A1 P00352 6/20 0.53
ALOX15 P16050 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TYR P14679 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
ATP2A2 P16615 1/20 0.45
ATP2A3 Q93084 1/20 0.45

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
SCHEMBL28149028 0.89 ALDH1A1 (0.70) CA2ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL142987 0.88 ALDH1A1 (0.67) CA2ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL29511701 0.86 ALDH1A1 (0.64) CA2ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL28698158 0.86 ALDH1A1 (0.64) CA2ALDH1A1ALOX15TDP1HSD17B10
Hydrochloric Acid SCHEMBL6349133 0.84 CA2 (0.61) CA2ALDH1A1ALOX15TDP1HSD17B10
Hydrochloric Acid SCHEMBL5338747 0.82 CA2 (0.59) CA2ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL3458467 0.82 ALDH1A1 (0.66) CA2ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL21194944 0.81 ALDH1A1 (0.63) CA2ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL38598 0.79 CA2 (1.00) CA2ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL5199034 0.79 GABRA1 (0.61) CA2ALDH1A1ALOX15TDP1HSD17B10

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-1300432-A1 Process for producing a polycarbonate and method of cleaning a production unit TEIJIN LIMITED (JP) 2003-04-09 EP disclosed
US-6525171-B2 Cleaning the aromatic polycarbonate continuous production unit with a carbonic acid diaryl ester at a temperature of 200-350 degrees C. in an inert gas atmosphere; ester interchange; discoloration inhibition TEIJIN LIMITED (JP) 2003-02-25 US disclosed
US-20020052467-A1 Process for producing a polycarbonate and method of cleaning a production unit TEIJIN LIMITED 2002-05-02 US disclosed