SCHEMBL14790874

SCHEMBL14790874

CCCCOCCOCCOCCOCCOc1cc(C=O)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ HPGD P15428 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ TRIM24 O15164 1/20 0.53
▸ ALDH5A1 P51649 1/20 0.53
▸ ABAT P80404 1/20 0.53
▸ TRIM33 Q9UPN9 1/20 0.53
▸ FDPS P14324 1/20 0.50
▸ STK17B O94768 3/20 0.49
▸ MAPT P10636 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ CXCL12 P48061 2/20 0.43

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
SCHEMBL2890759 0.93 ALDH1A1 (0.73) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14787812 0.92 ALDH1A1 (0.68) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14323012 0.88 ALDH1A1 (0.71) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL906447 0.87 ALDH1A1 (0.71) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14856076 0.87 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL11503669 0.87 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL972755 0.85 ALDH1A1 (0.76) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL2880949 0.83 FDPS (0.75) ALDH1A1HPGDTDP1FDPSMAPT
SCHEMBL7361734 0.83 FDPS (0.66) ALDH1A1HPGDTDP1FDPSMAPT
Protocatechualdehyde SCHEMBL6675611 0.81 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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-9077038-B2 Lithium ion batteries GM Global Technology Operations LLC (US) 2015-07-07 — — US disclosed
US-20130071742-A1 LITHIUM ION BATTERIES GM Global Technology Operations LLC (US) 2013-03-21 — — US disclosed
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