SCHEMBL11675635

SCHEMBL11675635

CN(C)C(=O)Nc1ccccc1OC(=O)NC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ RBP4 P02753 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL27831985 0.79 MAPK3 (0.48) HSD17B10ALDH1A1HTTPDK1PDK2
SCHEMBL7088595 0.77 ALDH1A1 (0.57) ALDH1A1HTTLMNARAB9AKMT2A
SCHEMBL30163598 0.77 ALDH1A1 (0.57) ALDH1A1HTTLMNARAB9AKMT2A
Karbutilate SCHEMBL29512628 0.75 TP53 (0.51) ALDH1A1LMNAKMT2AMEN1
Karbutilate SCHEMBL125025 0.75 TP53 (0.51) ALDH1A1LMNAKMT2AMEN1
SCHEMBL30761772 0.74 ALDH1A1 (0.56) ALDH1A1HTTKDM4E
SCHEMBL7089269 0.74 ALDH1A1 (0.56) ALDH1A1HTTKDM4E
SCHEMBL25295423 0.73 ATM (0.42) HSD17B10ALDH1A1L3MBTL1
SCHEMBL11830084 0.73 HSD17B10 (0.39) HSD17B10ALDH1A1HTTKDM4EKMT2A
SCHEMBL10768636 0.73 GAA (0.67) ALDH1A1LMNAKDM4ERAB9AKMT2A

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-4017529-A Herbicidal allophanimidates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 — — US disclosed
US-4014924-A SELECTIVE HERBICIDES AND SOIL STERILANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-03-29 — — US disclosed
US-3959331-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-25 — — US disclosed
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