SCHEMBL9153643

SCHEMBL9153643

CC(=O)C(C)NC(C)(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.39
SLC6A2 P23975 3/20 0.38
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
SLC6A4 P31645 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRND Q07001 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9150369 0.80 SLC6A2 (0.51) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9150113 0.79 SLC6A2 (0.39) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9152935 0.73 SLC6A3 (0.41) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL602699 0.71 TSHR (0.48) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8878445 0.70 TSHR (0.52) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL406254 0.69 TSHR (0.47) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL11655325 0.69 SSTR4 (0.52) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13778649 0.68 SSTR4 (0.45) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL1626481 0.67 AKR1C3 (0.51) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL601539 0.67 TSHR (0.48) SSTR4HDAC3HDAC1HDAC2HDAC6

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-5409886-A For paddy rice fields MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-25 US disclosed