SCHEMBL7564258

SCHEMBL7564258

COc1ccc(Nc2cc3c(c(C(C)C)c2C)OCC3(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
RAB9A P51151 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
NPC1 O15118 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
CDC25A P30304 2/20 0.35
CDC25B P30305 2/20 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
SCHEMBL7565513 0.81 PTGS1 (0.39) AKR1C3AKR1C2RAB9AMAPTMAPK1
SCHEMBL7563023 0.63 EGFR (0.35) EGFR
SCHEMBL4924540 0.62 MAPT (0.67) AKR1C3AKR1C2RAB9AMAPTMAPK1
SCHEMBL11455838 0.61 HTR2B (0.48)
SCHEMBL31371738 0.61 HTR2B (0.44) MAPTMAPK1KDM4ELMNAALDH1A1
SCHEMBL7293897 0.61 HTR2B (0.44) MAPTMAPK1KDM4ELMNAALDH1A1
SCHEMBL10462358 0.61 AKR1C3 (0.51) AKR1C3AKR1C2RAB9AMAPTMAPK1
SCHEMBL25634740 0.60 GAA (0.80) AKR1C3AKR1C2RAB9AMAPTMAPK1
SCHEMBL39057 0.60 MAPT (1.00) RAB9AMAPTMAPK1TDP1GAA
SCHEMBL1459772 0.60 MAPT (1.00) RAB9AMAPTMAPK1TDP1GAA

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