SCHEMBL11443113

SCHEMBL11443113

CC(C)(C)c1cccc(SC(=O)N(CC(Cl)CCl)CC(Cl)CCl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.36
▸ HDAC8 Q9BY41 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ KCNJ6 P48051 1/20 0.32
▸ KCNJ5 P48544 1/20 0.32
▸ KCNJ3 P48549 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ CCR9 P51686 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ CYP26A1 O43174 1/20 0.30
▸ CYP26B1 Q9NR63 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL11450855 0.83 TERT (0.40) MAPTL3MBTL1
SCHEMBL11436585 0.79 ACHE (0.37) ACHEHDAC8MAPTHDAC4HDAC2
SCHEMBL11450845 0.78 HDAC4 (0.40) ACHEHDAC8HDAC4HDAC2L3MBTL1
SCHEMBL11436576 0.76 ANPEP (0.38) KIF11
SCHEMBL10810667 0.72 ACHE (0.45) ACHEHDAC8MAPTHDAC4HDAC2
SCHEMBL11450853 0.70 FAAH (0.41) —
SCHEMBL11437135 0.68 ALDH1A1 (0.35) HDAC8MAPTHDAC2NR1H4KIF11
SCHEMBL11443012 0.67 TP53 (0.36) MAPT
SCHEMBL23709735 0.64 HDAC8 (0.42) ACHEHDAC8MAPTHDAC4HDAC2
SCHEMBL31208130 0.64 HDAC8 (0.39) ACHEHDAC8MAPTHDAC4HDAC2

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-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 — — US disclosed
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