SCHEMBL11404573

SCHEMBL11404573

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11398910 0.92 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11400821 0.83 PLA2G2A (0.34) ALDH1A1HSD17B10MEN1KMT2AUSP2
SCHEMBL11407028 0.81 TP53 (0.39) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11402769 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11399741 0.80 TSHR (0.52) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11398573 0.79 AGTR2 (0.35) SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL11404576 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11293873 0.77 TAS1R3 (0.38) ALDH1A1HSD17B10MEN1KMT2AUSP2
SCHEMBL11399037 0.76 PLA2G2A (0.34) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11407386 0.76 HSD17B10 (0.48) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A

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-4197114-A Alkyl N-3-alkoxy-, and N-3,5-dialkoxybenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1980-04-08 — — US disclosed
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