SCHEMBL28035500

SCHEMBL28035500

CC(C)c1cccc(C(C)C)c1.CCC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ MDM4 O15151 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MDM2 Q00987 1/20 0.50

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
SCHEMBL27944560 0.89 KDM4E (0.49) HDAC4HDAC8KDM4ETDP1ALDH1A1
SCHEMBL27661944 0.87 SMN1; SMN2 (0.50) HDAC4HDAC8KDM4ETDP1ALDH1A1
Isopropylbenzene SCHEMBL27508655 0.85 CRHBP (0.56) KDM4ETDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5087448 0.83 HDAC4 (0.43) HDAC4HDAC8KDM4ETDP1ALDH1A1
SCHEMBL24879051 0.82 GABBR2 (0.46) HDAC4HDAC8KDM4ETDP1ALDH1A1
Hydrogen Peroxide SCHEMBL1877668 0.79 HDAC4 (0.58) HDAC4HDAC8KDM4ETDP1ALDH1A1
Hydrogen Peroxide SCHEMBL315899 0.79 HDAC4 (0.58) HDAC4HDAC8KDM4ETDP1ALDH1A1
Hydrogen Peroxide SCHEMBL28407249 0.79 HDAC4 (0.58) HDAC4HDAC8KDM4ETDP1ALDH1A1
SCHEMBL374780 0.79 HDAC4 (0.56) HDAC4HDAC8KDM4ETDP1ALDH1A1
SCHEMBL4227994 0.79 TP53BP1 (0.48) HDAC4HDAC8KDM4ETDP1ALDH1A1

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
CN-105085191-B A kind of separator and technique of resorcinol 北京燕山玉龙石化工程股份有限公司 2019-07-23 — — CN disclosed
CN-105085191-A Resorcinol separating device and process BEIJING YANSHAN YULONG PEC CO LTD 2015-11-25 — — CN disclosed
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