SCHEMBL7570828

SCHEMBL7570828

COC(=O)c1ccc(N(c2cc3c(c(C(C)C)c2C)OCC3(C)C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
RARG P13631 4/20 0.41
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RARA P10276 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.33
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
ALOX5 P09917 3/20 0.33
CYP3A4 P08684 3/20 0.33
ROCK2 O75116 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
GAA P10253 1/20 0.31
NOTUM Q6P988 1/20 0.31
CYP26A1 O43174 2/20 0.31

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
SCHEMBL7565068 0.89 RXRA (0.42) RARBRARGRARAPTGS1PTGS2
SCHEMBL7563315 0.86 RXRA (0.44) RARBRARGRAB9ANPC1SMN1; SMN2
SCHEMBL8116624 0.86 RARB (0.40) RARBRARGRAB9ANPC1SMN1; SMN2
SCHEMBL7563292 0.77 PTGS2 (0.48) PTGS1PTGS2ALOX5
SCHEMBL7563373 0.75 RXRA (0.43) RARBRARGRARAPTGS1PTGS2
SCHEMBL8123033 0.75 RXRA (0.56) RARBRARGRARAPTGS1PTGS2
SCHEMBL7569104 0.72 RARA (0.38) RARBRARGRAB9ANPC1SMN1; SMN2
SCHEMBL7564227 0.71 RARA (0.39) RARBRARGRAB9ANPC1SMN1; SMN2
SCHEMBL8114497 0.71 RARB (0.38) RARBRARGRAB9ANPC1SMN1; SMN2
SCHEMBL7564214 0.71 RXRA (0.44) RARBRARGPTGS1PTGS2ALOX5

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