SCHEMBL11830084

SCHEMBL11830084

C=CCc1cccc(NC(=O)N(C)C)c1OC(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 6/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ ACKR3 P25106 1/20 0.31
▸ TP53 P04637 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
SCHEMBL11675635 0.73 HSD17B10 (0.43) HSD17B10ALDH1A1KDM4EMAPTMEN1
Karbutilate SCHEMBL125025 0.66 TP53 (0.51) ALDH1A1MEN1KMT2AMAPK1TP53
Karbutilate SCHEMBL29512628 0.66 TP53 (0.51) ALDH1A1MEN1KMT2AMAPK1TP53
SCHEMBL5879426 0.65 KDM4E (0.44) HSD17B10ALDH1A1KDM4EMAPTMEN1
SCHEMBL9771547 0.65 KDM4E (0.48) HSD17B10ALDH1A1KDM4EMAPTELANE
SCHEMBL30295469 0.63 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL1123855 0.63 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL9860877 0.63 KDM4E (0.41) HSD17B10ALDH1A1KDM4EMAPTELANE
SCHEMBL3837851 0.62 MAPT (0.52) ALDH1A1MAPTHTTTP53
SCHEMBL27831985 0.62 MAPK3 (0.48) HSD17B10ALDH1A1MAPTKMT2AMAPK1

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-3989508-A Substituted nitroanilines and ureas as herbicidal mixtures BASF AKTIENGESELLSCHAFT (DT) 1976-11-02 — — US disclosed
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