SCHEMBL7764563

SCHEMBL7764563

COc1ccccc1OCCN(CCCCC(=O)O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ALDH1A1 P00352 1/20 0.51
HCRTR2 O43614 4/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 1/20 0.46
ACHE P22303 2/20 0.45
BCHE P06276 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 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
SCHEMBL8150113 0.91 HCRTR2 (0.49) LMNAALDH1A1HCRTR2HDAC3HDAC1
SCHEMBL7764577 0.84 BCHE (0.56) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7128494 0.84 ALDH1A1 (0.55) ALDH1A1HCRTR2L3MBTL1BCHE
SCHEMBL8150111 0.82 HCRTR2 (0.48) LMNAALDH1A1HCRTR2SMN1; SMN2L3MBTL1
SCHEMBL7129202 0.82 NPC1 (0.53) HCRTR2SMN1; SMN2
SCHEMBL8355388 0.80 LMNA (0.78) LMNAALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL25181480 0.80 HDAC1 (0.67) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL25180614 0.80 HDAC1 (0.67) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL5319605 0.80 LMNA (0.83) LMNAALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL8150115 0.79 LMNA (0.53) LMNAALDH1A1HCRTR2SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929515-B1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CONSEILS DE RECH S SOC D (FR) 2001-06-20 EP disclosed
EP-0929515-A1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-07-21 EP disclosed
WO-1998013337-A1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-02 WO disclosed