SCHEMBL6040187

SCHEMBL6040187

CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
THRB P10828 1/20 1.00
LMNA P02545 3/20 0.67
DNM1 Q05193 6/20 0.61
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HSD17B10 Q99714 1/20 0.61
SLC22A1 O15245 1/20 0.61

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
Hexadecane SCHEMBL2039121 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Undecane SCHEMBL20767628 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Octane SCHEMBL1585515 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Dodecane SCHEMBL4052434 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Tetradecane SCHEMBL25387874 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Hexadecane SCHEMBL23499901 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Decane SCHEMBL23499900 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Tetradecane SCHEMBL23924271 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL23854647 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Decane SCHEMBL2999362 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108066612-A A kind of medicinal liquor with health-caring function 阿光明 2018-05-25 CN disclosed
CN-107019734-A A kind of oral liquid containing Radix Morindae Officinalis extract and preparation method thereof 广西南宁诺尔网络通讯技术有限公司 2017-08-08 CN disclosed
EP-1695088-A1 METHOD FOR ANALYSING METABOLITES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-08-30 EP disclosed
WO-2005059556-A1 METHOD FOR ANALYSING METABOLITES MAX PLANCK GESELLLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-30 WO disclosed
CN-1080119-A Household grain protectant and using method KUNMING ANIMALS AND PLANTS QUA (CN) 1994-01-05 CN disclosed