SCHEMBL9344182

SCHEMBL9344182

CCC(C)c1ccc(-c2ccc(C(C)CC)cc2OO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL9643177 0.81 ERN1 (0.44) ALDH1A1GAAUSP2MAPTLMNA
SCHEMBL9339802 0.80 ALDH1A1 (0.38) ALDH1A1GAAUSP2PKMHPGD
Hydrogen Peroxide SCHEMBL9344179 0.73 ALDH1A1 (0.53) ALDH1A1GAAUSP2PKMHPGD
Hydrogen Peroxide SCHEMBL9339800 0.73 ALDH1A1 (0.53) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL9339775 0.73 ALDH1A1 (0.47) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL339877 0.72 GAA (0.63) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL9643289 0.72 LMNA (0.48) ALDH1A1GAALMNAALOX12HDAC4
SCHEMBL28146812 0.72 ALOX15 (0.46) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL2938393 0.71 ALDH1A1 (0.45) ALDH1A1GAAUSP2PKMHPGD
Hydrogen Peroxide SCHEMBL11434421 0.71 ALDH1A1 (0.59) ALDH1A1GAAUSP2PKMHPGD

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-5338887-A Process for the preparation of dihydroperoxyalkyl polyphenyls and dihydroxy polyphenyls THE DOW CHEMICAL COMPANY (US) 1994-08-16 US claimed