SCHEMBL7569104

SCHEMBL7569104

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.38
RARB P10826 4/20 0.38
MAPT P10636 5/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ESR1 P03372 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ESR2 Q92731 1/20 0.35
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 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
SCHEMBL7564227 0.90 RARA (0.39) RARARARBMAPTMAPK1HPGD
SCHEMBL8107672 0.89 RARA (0.38) RARARARBMAPTMAPK1RAB9A
SCHEMBL8114497 0.89 RARB (0.38) RARARARBMAPTMAPK1HPGD
SCHEMBL7561892 0.88 RXRA (0.43) RARARARBMAPTMAPK1RAB9A
SCHEMBL7563837 0.86 PTGS2 (0.48) ALOX5PTGS1PTGS2
SCHEMBL7561719 0.80 RAB9A (0.44) MAPTMAPK1HPGDRECQLRAB9A
SCHEMBL7568206 0.76 ALOX5 (0.39) RARARARBMAPTMAPK1HPGD
SCHEMBL8118706 0.76 RXRA (0.44) RARARARBALOX5PTGS1PTGS2
SCHEMBL8116657 0.76 HPGD (0.43) RARARARBMAPTMAPK1HPGD
SCHEMBL8110045 0.76 RXRA (0.43) RARARARBRECQLESR1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228055-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012618-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 US disclosed