SCHEMBL9015025

SCHEMBL9015025

CC(C)(C)c1ccccc1C(=O)OO.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 4/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RBP4 P02753 1/20 0.34
ELANE P08246 2/20 0.34

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
Hydrogen Peroxide SCHEMBL8974942 0.89 TDP1 (0.46) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL29448528 0.87 MAPT (0.44) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL14976 0.87 MAPT (0.44) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL28331366 0.87 TDP1 (0.39) MAPK1ALDH1A1ALOX15TDP1ATM
Acetic Acid SCHEMBL28044565 0.85 TDP1 (0.44) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL30949796 0.85 MAPT (0.43) ALDH1A1TDP1ATMMAPTNPSR1
Pivalate SCHEMBL28089548 0.84 TDP1 (0.43) ALDH1A1TDP1ATMMAPTNPSR1
SCHEMBL9021105 0.84 ALDH1A1 (0.43) ALDH1A1TDP1ATMMAPTNPSR1
Benzoic Acid SCHEMBL27514337 0.81 RXRA (0.51) ALDH1A1TDP1ATMMAPTPOLB
SCHEMBL1348052 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15TDP1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545687-A BLENDING BORON CARBIDE POWDER AND PRECERAMIC ORGANOSILICON POLYMER TO UNIFORM MIXTURE, SHAPING UNDER PRESSURE TO HANDLEABLE GREEN BODY, SINTERING IN INERT ATMOSPHERE DOW CORNING CORPORATION (US) 1996-08-13 US disclosed