SCHEMBL11305331

SCHEMBL11305331

COCCCOC(=O)CN(C(=O)c1cc(C(C)C)cc(C(C)(C)C)c1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.35
▸ REN P00797 16/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR1A P08908 2/20 0.31
▸ ADRA1D P25100 2/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ ADRA1A P35348 2/20 0.31
▸ ADRA1B P35368 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31

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
SCHEMBL11296776 0.84 REN (0.33) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL11300982 0.82 HDAC8 (0.36) HDAC8
SCHEMBL11297857 0.81 REN (0.39) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL11302453 0.81 HDAC8 (0.37) HDAC8MEN1KMT2A
SCHEMBL11294066 0.79 SMN1; SMN2 (0.41) —
SCHEMBL11302460 0.77 MEN1 (0.31) MEN1KMT2A
SCHEMBL11299184 0.77 HDAC8 (0.42) HDAC8
SCHEMBL11295563 0.77 HDAC8 (0.33) HDAC8
SCHEMBL11304921 0.76 HDAC8 (0.46) HDAC8MEN1KMT2A
SCHEMBL11300475 0.75 HDAC8 (0.34) 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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