SCHEMBL7339035

SCHEMBL7339035

O=C(O)CCCCCNC(=O)C1COc2ccccc2O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.71
POLB P06746 1/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
HTT P42858 1/20 0.63
GAA P10253 2/20 0.62
TSHR P16473 2/20 0.62
CYP2C19 P33261 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 1/20 0.61
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 1/20 0.58
RAB9A P51151 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55

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
SCHEMBL708029 0.80 POLB (0.77) HPGDPOLBMEN1KMT2AHTT
SCHEMBL14067517 0.75 POLB (0.69) HPGDPOLBMEN1KMT2AHTT
SCHEMBL8265142 0.75 HPGD (0.73) HPGDPOLBMEN1KMT2AHTT
SCHEMBL4651767 0.74 RAB9A (0.71) HPGDPOLBMEN1KMT2AHTT
SCHEMBL8846668 0.73 GAA (0.70) HPGDPOLBMEN1KMT2AHTT
SCHEMBL4743342 0.72 HPGD (0.63) HPGDPOLBMEN1KMT2AHTT
SCHEMBL14923269 0.72 HPGD (0.68) HPGDPOLBMEN1KMT2AHTT
SCHEMBL19550524 0.72 POLB (0.73) HPGDPOLBMEN1KMT2AHTT
SCHEMBL19550956 0.72 POLB (0.73) HPGDPOLBMEN1KMT2AHTT
SCHEMBL15074765 0.72 HPGD (0.51) HPGDPOLBMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed