SCHEMBL5166328

SCHEMBL5166328

O=C(CNCC1CCC(C(=O)O)CC1)Oc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCP P55072 7/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
S1PR5 Q9H228 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
MAPT P10636 1/20 0.39
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LSS P48449 1/20 0.38
ATF4 P18848 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
SCHEMBL5024143 1.00 VCP (0.46) VCPKMT2AMEN1POLBCTDSP1
SCHEMBL5025581 0.89 LSS (0.41) VCPKMT2AMEN1POLBCTDSP1
SCHEMBL7176064 0.77 HPGD (0.47) KMT2ATDP1NPC1RAB9AATF4
SCHEMBL9680408 0.75 PARP15 (0.54) S1PR5MAPTATF4
SCHEMBL6018945 0.73 ALDH1A1 (0.38) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL17658712 0.73 NPC1 (0.56) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL5024153 0.73 LSS (0.54) VCPKMT2AMEN1POLBCTDSP1
SCHEMBL5024147 0.73 LSS (0.54) VCPKMT2AMEN1POLBCTDSP1
SCHEMBL7361058 0.72 ALDH1A1 (0.58) VCPNPC1RAB9AALDH1A1CYP2C9
SCHEMBL5025584 0.71 LSS (0.70) VCPKMT2AMEN1POLBCTDSP1

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-1768658-A1 HYDROXYALKYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
WO-2006125451-A1 HYDROXYALKYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-30 WO disclosed