SCHEMBL11636718

SCHEMBL11636718

Cc1ccc(CC(=O)c2cccc(C(=O)Cc3ccc(C)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NLRP3 Q96P20 1/20 0.47
MAOB P27338 1/20 0.47
CYP26A1 O43174 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CTBP2 P56545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
BCL2L1 Q07817 1/20 0.43

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
SCHEMBL11382971 0.93 RAB9A (0.57) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL3282725 0.88 NPC1 (0.66) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL160620 0.86 NPC1 (0.68) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL22701223 0.85 CYP26A1 (0.66) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL16171153 0.84 MEN1 (0.52) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL5218244 0.84 NPC1 (0.81) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL3289372 0.81 L3MBTL1 (0.58) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL3281032 0.81 KDM4E (0.58) RAB9ANPC1KMT2AMEN1FFAR1
SCHEMBL4183610 0.81 MAPT (0.51) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL13381381 0.81 CYP26A1 (0.64) CYP26A1CYP26B1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082806-A PREPARATION OF TETRAKETONES WRIGHT STATE UNIVERSITY (US) 1978-04-04 US claimed
US-4082806-A PREPARATION OF TETRAKETONES WRIGHT STATE UNIVERSITY (US) 1978-04-04 US disclosed