SCHEMBL7593790

SCHEMBL7593790

CC1(OO)CCC(C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20594351 0.79 ALDH1A1 (0.37) ALDH1A1TDP1MAPTGAAUSP2
SCHEMBL2486985 0.79 ALDH1A1 (0.33) ALDH1A1TDP1MAPTGAAUSP2
SCHEMBL20483726 0.77 EPHX1 (0.34) ALDH1A1TDP1MAPTGAACYP1A2
SCHEMBL20483727 0.75 EPHX1 (0.33) ALDH1A1TDP1MAPTGAACYP1A2
SCHEMBL7592187 0.74 ALDH1A1 (0.31) ALDH1A1MAPTGAAUSP2CYP2C9
SCHEMBL12384745 0.73 ALDH1A1 (0.39) ALDH1A1TDP1MAPTGAAUSP2
SCHEMBL10013221 0.73 ALDH1A1 (0.39) ALDH1A1TDP1MAPTGAAUSP2
Methoxymethane SCHEMBL21931862 0.73 ALDH1A1 (0.35) ALDH1A1TDP1MAPTGAAUSP2
SCHEMBL11634336 0.72 ALDH1A1 (0.42) ALDH1A1TDP1MAPTGAAUSP2
SCHEMBL23683647 0.71 AQP3 (0.35) ALDH1A1TDP1GAACYP1A2CYP2D6

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-8182785-B2 Methods and compositions for generating singlet oxygen NUTECH VENTURES (US) 2012-05-22 US disclosed
US-20100040530-A1 Methods and Compositions for Generating Singlet Oxygen NUTECH VENTURES 2010-02-18 US disclosed