SCHEMBL8115010

SCHEMBL8115010

CCOC(=O)c1ccc(NC(C)c2ccc3c(c2)C(C)(C)CCN3C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.67
RARB P10826 6/20 0.67
RARG P13631 3/20 0.48
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
IDH1 O75874 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
NPY2R P49146 1/20 0.38

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
SCHEMBL7712311 0.93 RARA (0.59) RARARARBRARGALDH1A1MEN1
SCHEMBL7703933 0.86 RARA (0.72) RARARARBRARGALDH1A1MEN1
SCHEMBL8116015 0.86 RARB (0.64) RARARARBRARGALDH1A1MEN1
SCHEMBL7706883 0.83 RARA (0.67) RARARARBRARGALDH1A1MEN1
SCHEMBL7710145 0.82 RARA (0.48) RARARARBRARGALDH1A1MEN1
SCHEMBL8115008 0.81 RARA (0.65) RARARARBRARGALDH1A1MEN1
SCHEMBL26471795 0.81 RARA (1.00) RARARARBRARGALDH1A1GAA
SCHEMBL7709721 0.81 RARA (0.63) RARARARBRARGALDH1A1MEN1
SCHEMBL8105372 0.80 RARA (0.63) RARARARBRARGALDH1A1MEN1
SCHEMBL7706886 0.80 RARA (0.71) RARARARBRARGALDH1A1MEN1

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-6127382-A AN ANTIPROLIFERATIVE AGENT FOR TREATING SKIN-RELATED DISEASES, AN ANTITUMOR AGENT TREATING CANCER, AN ANTIINFLAMMATORY AGENT TREATING PULMONARY FIBROSIS, ILEITIS, COLITIS AND KROHN'S DISEASE ALLERGAN SALES, INC. (US) 2000-10-03 US disclosed