SCHEMBL7287646

SCHEMBL7287646

CC(=O)c1c(C)cccc1C(=O)N(CC(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7277305 0.88 SLC6A9 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL7287639 0.84 MEN1 (0.38) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7286178 0.84 MEN1 (0.46) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL11077539 0.82 SLC6A9 (0.41) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL11077541 0.79 SLC6A9 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL13001234 0.78 TSHR (0.40) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7278211 0.78 SLC6A9 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL7278204 0.77 SLC6A9 (0.36) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7277297 0.77 SLC6A9 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL7290622 0.76 LMNA (0.39) ALDH1A1LMNATSHR

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-4440941-A Aroyl-aminoacids, amides and esters thereof USV PHARMACEUTICAL CORPORATION (US) 1984-04-03 US disclosed
EP-0054936-A1 Aroyl amino acids USV PHARMACEUTICAL CORPORATION (US) 1982-06-30 EP disclosed