SCHEMBL8773558

SCHEMBL8773558

C#COc1ccc(OCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.64
NR4A2 P43354 2/20 0.57
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 4/20 0.45
MAOB P27338 5/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRB P23467 1/20 0.42

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
SCHEMBL22275947 0.86 APP (0.82) APPNR4A2RXRARXRBNR4A1
SCHEMBL17248023 0.84 MAPT (0.47) APPRAB9ANPC1POLBLMNA
SCHEMBL8773534 0.84 MAOB (0.64) MAOBPTPRCPTPN2PTPN1PTPRB
SCHEMBL8773569 0.81 MAOB (0.54) APPRAB9ANPC1MAOBSMN1; SMN2
SCHEMBL1702727 0.81 APP (0.74) APPNR4A2RXRARXRBNR4A1
SCHEMBL13929695 0.80 APP (0.72) APPNR4A2RXRARXRBNR4A1
SCHEMBL13761551 0.80 APP (0.72) APPNR4A2RXRARXRBNR4A1
SCHEMBL13439792 0.80 APP (0.72) APPNR4A2RXRARXRBRAB9A
SCHEMBL13439789 0.79 APP (0.66) APPNR4A2RXRARXRBNR4A1
SCHEMBL8773563 0.78 RXRA (0.46) APPNR4A2RXRARXRBNR4A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577555-B1 Derivatives of carboxylic acids CIBA GEIGY AG (CH) 1997-11-05 EP claimed