SCHEMBL7568206

SCHEMBL7568206

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
MAPT P10636 5/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
RARA P10276 4/20 0.39
RARB P10826 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 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
SCHEMBL7562951 0.90 MAPT (0.39) ALOX5PTGS1PTGS2MAPTRAB9A
SCHEMBL7564506 0.88 RXRA (0.46) ALOX5PTGS1PTGS2MAPTRAB9A
SCHEMBL8107672 0.87 RARA (0.38) ALOX5PTGS1PTGS2MAPTRAB9A
SCHEMBL7564227 0.86 RARA (0.39) ALOX5PTGS1PTGS2MAPTRAB9A
SCHEMBL8121956 0.85 RXRA (0.54) ALOX5PTGS1PTGS2RXRARXRB
SCHEMBL7565083 0.79 RAB9A (0.47) MAPTRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL8117130 0.78 RXRA (0.45) ALOX5PTGS1PTGS2MAPTRAB9A
SCHEMBL8114497 0.77 RARB (0.38) ALOX5PTGS1PTGS2MAPTRAB9A
SCHEMBL8107787 0.76 RXRA (0.46) ALOX5PTGS1PTGS2RXRARXRB
SCHEMBL7569104 0.76 RARA (0.38) ALOX5PTGS1PTGS2MAPTRAB9A

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