SCHEMBL9446166

SCHEMBL9446166

CCOC(=O)c1c(C)noc1C(=O)N(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 9/20 0.46
PKM P14618 2/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 2/20 0.42
PDE4D Q08499 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
ATM Q13315 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40

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
SCHEMBL9446176 0.84 POLB (0.37) TSHRALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL9446167 0.84 ALDH1A1 (0.52) TSHRALDH1A1PKMPOLBKDM4E
SCHEMBL1641384 0.81 ALDH1A1 (0.50) TSHRALDH1A1PKMPOLBKDM4E
SCHEMBL9446171 0.81 ALDH1A1 (0.50) TSHRALDH1A1PKMPOLBKDM4E
SCHEMBL9446211 0.80 ALDH1A1 (0.49) TSHRALDH1A1PKMPOLBKDM4E
SCHEMBL9446231 0.80 ALDH1A1 (0.49) TSHRALDH1A1PKMPOLBKDM4E
SCHEMBL27583225 0.75 GAA (0.44) TSHRALDH1A1LMNAKMT2AHTT
SCHEMBL2775305 0.75 ALDH1A1 (0.58) TSHRALDH1A1PKMPOLBKDM4E
SCHEMBL9524704 0.74 ALDH1A1 (0.47) TSHRALDH1A1PKMPOLBKDM4E
SCHEMBL14710756 0.74 ALDH1A1 (0.52) TSHRALDH1A1PKMPOLBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5205854-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
US-5080708-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed