SCHEMBL11241576

SCHEMBL11241576

CC(C)(C)c1ccc2c(O)c3ccccc3c(O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.52
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
RECQL P46063 1/20 0.44
TYR P14679 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL19195719 0.87 ALDH1A1 (0.52) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28384010 0.82 KIF11 (0.59) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21751238 0.81 NPC1 (0.47) KIF11ALDH1A1LMNAHTTMEN1
SCHEMBL29565834 0.81 NPC1 (0.47) KIF11ALDH1A1LMNAHTTMEN1
SCHEMBL28261483 0.79 GLRA3 (0.46) KIF11ALDH1A1HPGDHSD17B10HTT
SCHEMBL19196665 0.77 ALDH1A1 (0.42) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL19196117 0.77 ALDH1A1 (0.42) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL2246981 0.75 KIF11 (0.52) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7519137 0.75 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL14973252 0.75 KIF11 (0.47) KIF11ALDH1A1HPGDALOX15HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336241-A Process for hydrogen peroxide production from hydrogen and oxygen ALLIED CORPORATION (US) 1982-06-22 US claimed
US-20230242969-A1 PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS HOWARD HUGHES MEDICAL INSTITUTE 2023-08-03 US disclosed
US-4336241-A Process for hydrogen peroxide production from hydrogen and oxygen ALLIED CORPORATION (US) 1982-06-22 US disclosed