SCHEMBL8022683

SCHEMBL8022683

CC(C)CC(C)CCc1ccc(C(=O)O)c(C(=O)O)c1CCC(C)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.32
HDAC4 P56524 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC7 Q8WUI4 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC10 Q969S8 4/20 0.32
HDAC11 Q96DB2 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC9 Q9UKV0 4/20 0.32
HDAC5 Q9UQL6 4/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MCL1 Q07820 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
SCHEMBL541844 0.88 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1446788 0.87 MAPT (0.34) ALDH1A1MCL1
SCHEMBL2278213 0.86 ALDH1A1 (0.32) ALDH1A1MCL1
Cyclohexane SCHEMBL28840941 0.84 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1582331 0.83 EGFR (0.32)
SCHEMBL2272942 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL722645 0.81 GRIN2D (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL722646 0.81 GRIN2D (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19667966 0.80 ALDH1A1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL634123 0.79 GRIN2D (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0650087-B1 Silver halide photographic light sensitive material KONISHIROKU PHOTO IND (JP) 2000-01-26 EP disclosed
EP-0650087-A1 Silver halide photographic light sensitive material KONICA CORPORATION (JP) 1995-04-26 EP disclosed