SCHEMBL8114497

SCHEMBL8114497

CCOC(=O)c1ccc(N(c2cc(CC)c3c(c2)C(C)(C)CO3)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.38
RARA P10276 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 6/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL7564227 0.91 RARA (0.39) RARBRARAL3MBTL1MEN1KMT2A
SCHEMBL7569104 0.89 RARA (0.38) RARBRARAL3MBTL1MEN1KMT2A
SCHEMBL8118706 0.87 RXRA (0.44) RARBRARARARGALOX5PTGS1
SCHEMBL7563837 0.87 PTGS2 (0.48) ALOX5PTGS1PTGS2
SCHEMBL7562951 0.86 MAPT (0.39) RARBRARAL3MBTL1MEN1KMT2A
SCHEMBL8117130 0.85 RXRA (0.45) RARBRARAL3MBTL1MEN1KMT2A
SCHEMBL8107672 0.78 RARA (0.38) RARBRARAL3MBTL1MEN1KMT2A
SCHEMBL7561892 0.77 RXRA (0.43) RARBRARAL3MBTL1MEN1KMT2A
SCHEMBL7568206 0.77 ALOX5 (0.39) RARBRARAL3MBTL1MEN1KMT2A
SCHEMBL7570193 0.77 RAB9A (0.47) L3MBTL1MEN1KMT2AALDH1A1MAPT

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-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 US disclosed