SCHEMBL4871205

SCHEMBL4871205

CC(C)(C)c1cc([C]=O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL3678055 0.81 CA2 (0.43) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL31386607 0.81 CA2 (0.43) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL35141 0.79 CA2 (0.67) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL28111199 0.77 HSP90AA1 (0.40) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL8986512 0.74 CA2 (0.61) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL22080995 0.73 CA2 (0.43) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL10464270 0.73 NR5A2 (0.41) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL247483 0.73 CA2 (0.52) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
Trimethylammonium SCHEMBL29145211 0.73 CA2 (0.58) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL29836296 0.73 CYP2C9 (0.68) CA2CA1HSP90AA1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425523-B2 Thermal transfer recording material and thermal transfer recording method DAI NIPPON PRINTING CO., LTD. (JP) 2008-09-16 US disclosed
US-20060003892-A1 Thermal transfer recording material and thermal transfer recording method KONICA MINOLTA PHOTO IMAGING, INC. 2006-01-05 US disclosed