SCHEMBL8105372

SCHEMBL8105372

CCOC(=O)c1ccc(Nc2cc3c(cc2C)C(C)(C)CCN3C(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.63
RARB P10826 5/20 0.63
RARG P13631 2/20 0.44
HPGD P15428 3/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 1/20 0.41
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7703933 0.87 RARA (0.72) RARARARBRARGHPGDRECQL
SCHEMBL7709721 0.87 RARA (0.63) RARARARBRARGHPGDRECQL
SCHEMBL8107528 0.87 RARA (0.58) RARARARBRARGRECQLMEN1
SCHEMBL8115557 0.86 RARA (0.62) RARARARBRARGHPGDRECQL
SCHEMBL7710034 0.83 RARA (0.61) RARARARBRARGHPGDRECQL
SCHEMBL7712311 0.80 RARA (0.59) RARARARBRARGHPGDRECQL
SCHEMBL7706883 0.80 RARA (0.67) RARARARBRARGHPGDRECQL
SCHEMBL8115010 0.80 RARA (0.67) RARARARBRARGHPGDRECQL
SCHEMBL7706900 0.80 RARA (0.62) RARARARBRARGHPGDRECQL
SCHEMBL7712308 0.79 RARA (0.58) RARARARBRARGHPGDRECQL

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