SCHEMBL11297218

SCHEMBL11297218

CCOC(=O)CN(C(=O)c1cc(CC(C)C)cc(CC(C)C)c1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.34
▸ MEP1B Q16820 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 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
SCHEMBL11303227 0.86 PSMB5 (0.37) F10PSMB5
SCHEMBL11294159 0.85 PSMB5 (0.32) PSMB5ALDH1A1
SCHEMBL11301530 0.84 PPARA (0.38) F10MAPTPSMB5ALDH1A1MAPK1
SCHEMBL11293873 0.83 TAS1R3 (0.38) MAPTCA12CA1CA2CA9
SCHEMBL11211541 0.81 SLC6A2 (0.39) F10MAPTCA12CA1CA2
SCHEMBL11398910 0.80 SMN1; SMN2 (0.51) ALDH1A1POLBMAPK1SMN1; SMN2KDM4E
SCHEMBL11407028 0.80 TP53 (0.39) MAPTTP53PSMB5ALDH1A1POLB
SCHEMBL11302675 0.78 SLC7A5 (0.30) SLC7A5
SCHEMBL11300765 0.78 PPARG (0.40) F10MEP1BALDH1A1SMN1; SMN2SLC7A5
SCHEMBL11296572 0.77 PSMB5 (0.35) PSMB5ALDH1A1SMN1; SMN2TSHR

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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