SCHEMBL11299275

SCHEMBL11299275

CCC(C)c1cccc(C(=O)N(CC(=O)OC(C)COC)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ REN P00797 2/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL11293961 0.91 HDAC4 (0.41) HDAC4HDAC2HDAC8ALDH1A1POLB
SCHEMBL11294254 0.77 F2 (0.40) HDAC4HDAC2HDAC8ALDH1A1POLB
SCHEMBL12786072 0.75 HDAC4 (0.55) HDAC4HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL11297857 0.74 REN (0.39) ALDH1A1KDM4ERENPTGS1PTGS2
SCHEMBL11297907 0.74 PHGDH (0.30) —
SCHEMBL11304110 0.73 PSMB5 (0.31) —
SCHEMBL11303526 0.73 TDP1 (0.44) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL13144238 0.72 HDAC4 (0.51) HDAC4HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL11302460 0.72 MEN1 (0.31) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11296224 0.72 HDAC8 (0.33) HDAC8

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-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 — — US disclosed
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