SCHEMBL7149907

SCHEMBL7149907

FC(F)(F)c1ccc(-c2ccc(OCCCCC3CCN3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NOS1 P29475 3/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL10560161 0.81 LTA4H (0.68) LTA4H
SCHEMBL7150712 0.81 LSS (0.48) LTA4HPPARDPPARA
SCHEMBL7142556 0.78 LSS (0.41) LTA4HPPARDPPARADRD2DRD1
SCHEMBL11455868 0.78 LTA4H (0.64) LTA4H
SCHEMBL7116280 0.77 LTA4H (0.70) LTA4H
SCHEMBL7152797 0.73 NOS1 (0.48) LTA4HHDAC1HDAC2HDAC3HDAC4
SCHEMBL24529833 0.73 HTR2C (0.50) LTA4HITGB3ITGA2B
SCHEMBL8961311 0.71 ITGB3 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12676015 0.71 CYP3A4 (0.54) LTA4HNOS1PPARDPPARA
SCHEMBL2056314 0.70 CYP1A1 (0.56) LTA4HNOS1PPARDPPARACHRNB2

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
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed