SCHEMBL6204059

SCHEMBL6204059

Cc1cc(C)c(C(=O)CC(c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1C Q13936 2/20 0.44
CACNA1G O43497 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL11527977 0.88 LMNA (0.53) BRD4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6429187 0.82 KEAP1 (0.40) BRD4LMNASLC6A2SLC6A4SLC6A3
SCHEMBL225075 0.79 SLC6A2 (0.38) BRD4CACNA2D1CACNA1BCACNB1CACNA1C
3,3-Diphenylpropanoic Acid SCHEMBL8965643 0.77 BRD4 (0.51) BRD4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL11895218 0.76 FFAR1 (0.55) LMNAPOLBL3MBTL1MEN1KMT2A
SCHEMBL18823101 0.75 L3MBTL1 (0.52) BRD4LMNAPOLBSLC6A2SLC6A4
SCHEMBL14781389 0.75 SRC (0.47) BRD4LMNASLC6A2SLC6A4SLC6A3
SCHEMBL19041261 0.75 LMNA (0.66) LMNAL3MBTL1MEN1KMT2ATDP1
SCHEMBL11532202 0.75 KMT2A (0.56) BRD4LMNAPOLBATMMEN1
SCHEMBL11526990 0.74 CYP2D6 (0.49) LMNASLC6A2SLC6A4SLC6A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed