SCHEMBL7592041

SCHEMBL7592041

CCOC(=O)OOC1(OO)CCC(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 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
SCHEMBL3475343 0.80 ALDH1A1 (0.33) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL2486985 0.74 ALDH1A1 (0.33) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL7595344 0.73
SCHEMBL7598235 0.71 TDP1 (0.44) ALDH1A1LMNAGAAAPOBEC3AAPOBEC3G
SCHEMBL7592187 0.69 ALDH1A1 (0.31) ALDH1A1GAACYP2C9CYP2C19
SCHEMBL4629918 0.68 APOBEC3A (0.53) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL3307079 0.66 MGAM (0.38) ALDH1A1KDM4EGAAGABRA1GABRG2
SCHEMBL1634085 0.66 ALDH1A1 (0.41) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL9342855 0.65 KDM4E (0.30) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL20484024 0.64 ALDH1A1 (0.39) ALDH1A1KDM4ELMNACYP1A2CYP3A4

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