SCHEMBL6656583

SCHEMBL6656583

CC1(C)CCc2c(sc3cc(OC(=O)NCC4CC4)ccc3c2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.35
BCHE P06276 7/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC34A2 O95436 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL5742423 0.88 LMNA (0.35) ACHEBCHEMEN1KMT2AALDH1A1
SCHEMBL6504028 0.83 MAPK14 (0.41) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL5741841 0.83 FABP4 (0.33) SLC34A2
SCHEMBL5739761 0.82 ACHE (0.37) ACHEMEN1KMT2AALDH1A1SLC34A2
SCHEMBL5741790 0.76 KIF11 (0.31)
SCHEMBL5740952 0.75 KIF11 (0.41) ACHEBCHEMEN1KMT2AALDH1A1
SCHEMBL5741839 0.73 RXRA (0.37) SLC34A2
SCHEMBL5740408 0.73 SLC34A2 (0.35) SLC34A2
SCHEMBL6507664 0.73 KIF11 (0.40)
SCHEMBL6510139 0.73 KMT2A (0.41) MEN1KMT2ACNR2SLC34A2

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
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO disclosed