SCHEMBL9426280

SCHEMBL9426280

CC(=COC(=O)c1ccccc1)c1cccc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
TNF P01375 1/20 0.42
KLF5 Q13887 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNK9 Q9NPC2 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 2/20 0.37
HDAC4 P56524 1/20 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
SCHEMBL27332603 0.79 ACHE (0.56) ACHETDP1MAPTL3MBTL1RXRA
SCHEMBL29035792 0.75 TDP1 (0.54) ACHETDP1MAPTL3MBTL1RXRA
SCHEMBL23772184 0.74 ACHE (0.43) ACHEL3MBTL1RXRARXRBCYP26A1
SCHEMBL9425954 0.73 GABRA1 (0.43) TSHRALDH1A1LMNAF2
SCHEMBL3684740 0.73 ATM (0.63) ACHETDP1MAPTL3MBTL1RXRA
SCHEMBL13110206 0.73 MAPT (0.69) ACHETDP1MAPTL3MBTL1ALDH1A1
SCHEMBL1786807 0.73 MAPT (0.69) ACHETDP1MAPTL3MBTL1RXRA
SCHEMBL31477014 0.72 ACHE (0.39) ACHETDP1MAPTL3MBTL1CYP26A1
SCHEMBL179538 0.72 RXRA (0.66) ACHETDP1RXRARXRBNR1H4
SCHEMBL14360801 0.72 TSHR (0.54) TDP1MAPTL3MBTL1TSHRALDH1A1

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-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed