SCHEMBL4786722

SCHEMBL4786722

COC(CNC(=O)c1ccc(CCO)cc1)OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
CYP4A11 Q02928 4/20 0.53
CYP4F2 P78329 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4785110 0.88 TDP1 (0.61) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL18469618 0.84 TDP1 (0.61) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL18469616 0.83 TDP1 (0.60) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL18469619 0.83 TDP1 (0.60) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL17865390 0.83 MLYCD (0.58) CYP4A11CYP4F2KMT2AALDH1A1HPGD
SCHEMBL6365588 0.82 MAPT (0.59) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL4789397 0.82 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL5503502 0.81 MEN1 (0.57) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL3598819 0.81 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL3037389 0.80 MEN1 (0.56) TDP1MEN1KMT2AALDH1A1HPGD

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
WO-2008149110-A1 BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 WO disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed