SCHEMBL16256664

SCHEMBL16256664

COc1cc(C=O)cc(OC)c1OO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.53
▸ TSHR P16473 2/20 0.53
▸ 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
▸ MAPK1 P28482 1/20 0.50
▸ AOX1 Q06278 1/20 0.48
▸ TTR P02766 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ FDPS P14324 1/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ ERN1 O75460 1/20 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
SCHEMBL96635 0.85 ALDH1A1 (0.59) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL16619850 0.85 ALDH1A1 (0.59) ALDH1A1TSHRHPGDTDP1TRIM24
Hydrochloric Acid SCHEMBL23711567 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL28944930 0.82 ALDH1A1 (0.52) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL29361496 0.80 ALDH1A1 (0.59) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL1050289 0.80 ALDH1A1 (0.59) ALDH1A1TSHRHPGDTDP1TRIM24
Alcohol SCHEMBL28096074 0.80 ALDH1A1 (0.51) ALDH1A1TSHRHPGDTDP1TRIM24
Phosphoric Acid SCHEMBL26634475 0.80 ALDH1A1 (0.51) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL17655658 0.79 ALDH1A1 (0.53) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL3395431 0.79 TUBB4A (0.62) ALDH1A1TSHRHPGDTDP1TRIM24

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-8895032-B2 Dendritic nano-antioxidants CENTRAL MICHIGAN UNIVERSITY (US) 2014-11-25 — — US disclosed
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