SCHEMBL7564779

SCHEMBL7564779

CCOC(=O)c1ccc(N(CC)c2ccc3c(c2)C(C)(C)OC3(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.50
RXRB P28702 6/20 0.50
RXRG P48443 6/20 0.50
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7565539 0.91 RXRA (0.42) RXRARXRBRXRGCA12CA1
SCHEMBL8116217 0.89 RXRA (0.39) RXRARXRBRXRGCA12CA1
SCHEMBL8124508 0.85 RXRA (0.68) RXRARXRBRXRGALDH1A1RARA
SCHEMBL8116657 0.83 HPGD (0.43) CA12CA1CA2CA7CA9
SCHEMBL7563636 0.78 RAB9A (0.52) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL6086410 0.76 RXRA (0.48) RXRARXRBRXRGCA12CA1
SCHEMBL7564506 0.76 RXRA (0.46) RXRARXRBRXRGCA12CA1
SCHEMBL8117130 0.75 RXRA (0.45) RXRARXRBRXRGCA12CA1
SCHEMBL8125521 0.75 RXRA (0.55) RXRARXRBRXRGCA12CA2
SCHEMBL6087437 0.74 RXRA (0.47) RXRARXRBRXRGCA12CA1

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