SCHEMBL9339802

SCHEMBL9339802

CCC(C)c1ccc(-c2ccc(C(C)CC)c(OO)c2OO)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPA1 O75762 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 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
SCHEMBL11434417 0.82 TSHR (0.48) ALDH1A1TSHRNPSR1GAAUSP2
SCHEMBL9344182 0.80 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1CYP2C9GAA
SCHEMBL9176619 0.78 ERN1 (0.39) NPSR1MAPTUSP2KMT2AMEN1
Hydrogen Peroxide SCHEMBL9344179 0.70 ALDH1A1 (0.53) ALDH1A1TSHRNPSR1CYP2C9GAA
Hydrogen Peroxide SCHEMBL9339800 0.70 ALDH1A1 (0.53) ALDH1A1TSHRNPSR1CYP2C9GAA
SCHEMBL9339775 0.70 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1CYP2C9GAA
SCHEMBL28146812 0.69 ALOX15 (0.46) ALDH1A1TSHRCYP2C9GAAMAPT
SCHEMBL29860475 0.68 PPARG (0.38) ALDH1A1TSHRTRPA1
SCHEMBL26631519 0.68 PPARG (0.38) ALDH1A1TSHRTRPA1
Hydrogen Peroxide SCHEMBL11434421 0.68 ALDH1A1 (0.59) ALDH1A1TSHRNPSR1CYP2C9GAA

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