SCHEMBL7565539

SCHEMBL7565539

CCCN(c1ccc(C(=O)OCC)cc1)c1ccc2c(c1)C(C)(C)OC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8116217 0.93 RXRA (0.39) RXRARXRBRXRGCA12CA1
SCHEMBL7564779 0.91 RXRA (0.50) RXRARXRBRXRGCA12CA1
SCHEMBL8125521 0.85 RXRA (0.55) RXRARXRBRXRGCA12CA2
SCHEMBL8116657 0.81 HPGD (0.43) CA12CA1CA2CA7CA9
SCHEMBL7563636 0.76 RAB9A (0.52) CA1CA2MAPTNPC1RAB9A
SCHEMBL8124508 0.75 RXRA (0.68) RXRARXRBRXRGALDH1A1RARA
SCHEMBL20190404 0.71 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5179743 0.70 RXRA (0.64) RXRARXRBRXRGCYP3A4RARA
SCHEMBL87450 0.67 CA1 (0.83) CA12CA1CA2CA7CA9
SCHEMBL13158983 0.66 CA1 (0.51) CA12CA1CA2CA7CA9

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