SCHEMBL6771150

SCHEMBL6771150

CC(c1ccccc1)N1C(=O)CC(C)(C)c2cc(C(=O)C=Cc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.52
RARB P10826 5/20 0.52
RARG P13631 5/20 0.52
PTPN1 P18031 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
STAT3 P40763 1/20 0.40
RXRA P19793 3/20 0.40
CYP1B1 Q16678 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 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
SCHEMBL6771144 1.00 RARA (0.52) RARARARBRARGPTPN1PTPN12
SCHEMBL6765901 0.93 CYP1B1 (0.44) RARARARBRARGPTPN1PTPN12
SCHEMBL6765906 0.93 CYP1B1 (0.44) RARARARBRARGPTPN1PTPN12
SCHEMBL6770057 0.82 HDAC3 (0.48) RARARARBRARGPTPN1PTPN12
SCHEMBL6770058 0.82 HDAC3 (0.48) RARARARBRARGPTPN1PTPN12
SCHEMBL13827617 0.82 RARB (0.51) RARARARBRARGPTPN1PTPN12
SCHEMBL6767428 0.82 RARA (0.53) RARARARBRARGMAPTKMT2A
SCHEMBL6771147 0.79 HDAC1 (0.43) RARARARBRARGPTPN1PTPN12
SCHEMBL6765664 0.75 RARB (0.45) RARARARBRARGPTPN1PTPN12
SCHEMBL6765666 0.75 RARB (0.45) RARARARBRARGPTPN1PTPN12

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