SCHEMBL6767428

SCHEMBL6767428

CC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.53
RARB P10826 2/20 0.53
RARG P13631 2/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.45
MAPT P10636 1/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
BRD4 O60885 2/20 0.36
RXRA P19793 4/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GRM4 Q14833 1/20 0.36
KMT2A Q03164 1/20 0.36
S100A4 P26447 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL6771144 0.82 RARA (0.52) RARARARBRARGPTGDR2MAPT
SCHEMBL6771150 0.82 RARA (0.52) RARARARBRARGPTGDR2MAPT
SCHEMBL6765901 0.80 CYP1B1 (0.44) RARARARBRARGPTGDR2MAPT
SCHEMBL6765906 0.80 CYP1B1 (0.44) RARARARBRARGPTGDR2MAPT
SCHEMBL6770006 0.76 HDAC1 (0.56) RARARARBRARGMAPTHDAC1
SCHEMBL6767431 0.74 PTGDR2 (0.48) PTGDR2MAPTHDAC1HDAC6HDAC3
SCHEMBL6227625 0.70 RARA (0.55) RARARARBRARGHDAC1HDAC6
SCHEMBL1764037 0.68 HDAC1 (0.47) RARARARBRARGPTGDR2MAPT
SCHEMBL8122127 0.68 RARA (0.64) RARARARBRARGHDAC1HDAC6
SCHEMBL8119608 0.68 RARA (0.68) RARARARBRARGHDAC1HDAC6

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