SCHEMBL6767431

SCHEMBL6767431

CC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
PARK7 Q99497 2/20 0.45
TP53 P04637 9/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
USP2 O75604 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6771147 0.82 HDAC1 (0.43) PTGDR2HDAC1HDAC6PARK7TP53
SCHEMBL1764037 0.81 HDAC1 (0.47) PTGDR2HDAC1HDAC6TP53MAPT
SCHEMBL6765905 0.81 TP53 (0.45) PTGDR2HDAC1HDAC6TP53MAPT
SCHEMBL1764561 0.81 HDAC1 (0.48) PTGDR2HDAC1HDAC6MAPTALDH1A1
SCHEMBL6769021 0.81 HDAC1 (0.46) HDAC1HDAC6TP53MAPTALDH1A1
SCHEMBL6769139 0.81 HDAC1 (0.46) HDAC1HDAC6TP53MAPTALDH1A1
SCHEMBL6765782 0.81 HDAC1 (0.46) HDAC1HDAC6TP53MAPTALDH1A1
SCHEMBL4427655 0.81 HDAC1 (0.46) HDAC1HDAC6TP53MAPTALDH1A1
SCHEMBL6770006 0.78 HDAC1 (0.56) HDAC1HDAC6TP53MAPTHPGD
SCHEMBL6767428 0.74 RARA (0.53) PTGDR2HDAC1HDAC6MAPTHDAC3

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-6683092-B1 BREAST AND/OR PROSTATE CANCER ALLERGAN, INC. 2004-01-27 US disclosed