SCHEMBL8035601

SCHEMBL8035601

COc1ccc(C(=O)CCCC(C)C)cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
PDE4D Q08499 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ACHE P22303 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 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
SCHEMBL25183753 0.92 HTT (0.58) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL11221996 0.84 HTT (0.59) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL25174227 0.83 TAS1R3 (0.54) HTTLMNATAS1R3TAS1R1MEN1
SCHEMBL2420242 0.83 THRA (0.60) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL7389336 0.82 HTT (0.56) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL8053366 0.81 GRIN2B (0.44) LMNARAB9AALDH1A1MAPTACHE
SCHEMBL6580881 0.81 HTT (0.63) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL5729116 0.81 RAB9A (0.63) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL346725 0.80 HTT (0.66) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL19287206 0.78 HTT (0.59) HTTLMNAMAPK1RAB9ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 EP disclosed