SCHEMBL6141585

SCHEMBL6141585

CCCCCCC1([C]=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
CYP19A1 P11511 3/20 0.31
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31
DNM1 Q05193 2/20 0.31
EPHX2 P34913 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6141446 0.98 TSHR (0.32) TSHRTHRBSIRT2
SCHEMBL6141332 0.91
SCHEMBL4076165 0.80 CETP (0.33)
SCHEMBL23572529 0.77 TSHR (0.36) TSHRTHRBDNM1GAA
SCHEMBL24308962 0.77 TSHR (0.36) TSHRTHRBDNM1GAA
SCHEMBL3413093 0.74 TSHR (0.35) TSHRTHRBGAA
SCHEMBL7879421 0.71
SCHEMBL4127259 0.70 HSD11B1 (0.34)
SCHEMBL22518978 0.70 TSHR (0.33) TSHRTHRBSIRT2GAA
Decane SCHEMBL15911069 0.68 TSHR (0.67) TSHRTHRBCES2CES1DNM1

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-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed