SCHEMBL4741383

SCHEMBL4741383

COC(CNC(=O)c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ESRRG P62508 3/20 0.39
ESRRB O95718 1/20 0.39
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL17865387 0.88 MLYCD (0.49) KMT2AALDH1A1HPGDKDM4EGAA
SCHEMBL4786722 0.78 TDP1 (0.59) TDP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL4741957 0.76 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL4254643 0.76 CYP4A11 (0.58) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL17361238 0.75 PPARG (0.36) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL18469618 0.75 TDP1 (0.61) TDP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL4785110 0.75 TDP1 (0.61) TDP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL23066425 0.75 ESR1 (0.47) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL18469619 0.74 TDP1 (0.60) TDP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL18469616 0.74 TDP1 (0.60) TDP1KMT2AMEN1ALDH1A1HPGD

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
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-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