SCHEMBL10995463

SCHEMBL10995463

CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CCR6 P51684 1/20 0.42
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
KCNN4 O15554 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 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
SCHEMBL10983597 1.00 MAPK1 (0.65) MAPK1ALDH1A1ALOX15GSK3AGSK3B
SCHEMBL15450 0.81 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL8939342 0.81 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT
Benzene SCHEMBL25312146 0.81 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL27506519 0.81 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL28492385 0.79 MAPK1 (0.94) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL30089546 0.79 MAPK1 (0.94) MAPK1ALDH1A1ALOX15KMT2AMAPT
Ethane SCHEMBL28682771 0.79 MAPK1 (0.94) MAPK1ALDH1A1ALOX15KMT2AMAPT
Hydrogen Peroxide SCHEMBL22163808 0.79 MAPK1 (0.94) MAPK1ALDH1A1ALOX15KMT2AMAPT
SCHEMBL31655460 0.79 MAPK1 (0.94) MAPK1ALDH1A1ALOX15KMT2AMAPT

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-4559688-A ETHYLENE-PROPYLENE DIENE ELASTOMER, DICUMYLPEROXIDE, N,N'-M-PHENYLENEBIS/MALEIMIDE/,CURING GENERAL MOTORS CORPORATION (US) 1985-12-24 US disclosed