SCHEMBL9868567

SCHEMBL9868567

CCOC(=O)c1oc2ccc(C(C)(C)C)c(O)c2c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NMT2 O60551 6/20 0.49
NMT1 P30419 6/20 0.49
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
ADRB3 P13945 3/20 0.48
HIF1A Q16665 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3608031 0.86 RAB9A (0.65) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL3614948 0.83 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL4629109 0.83 RAB9A (0.65) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL10738691 0.83 RAB9A (0.74) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL9869198 0.81 EDNRA (0.47) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL6871537 0.81 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL10743101 0.81 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL3610943 0.81 RAB9A (0.62) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL9866325 0.80 RAB9A (0.58) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL9867487 0.80 RAB9A (0.48) RAB9ANPC1MAPTL3MBTL1KDM4E

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-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed