SCHEMBL10936155

SCHEMBL10936155

CCCCCC(C)(C)OCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 11/20 0.33
GGPS1 O95749 7/20 0.33
SMPD1 P17405 3/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL22903085 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL20067922 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL28312159 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL21472951 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL22903055 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL15373224 0.97 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL6721146 0.92 TSHR (0.32) TSHRTHRBFDPS
SCHEMBL21202088 0.92 ALDH1A1 (0.32) TSHR
SCHEMBL22349342 0.85 FAAH (0.45) MEN1MAPTKMT2AATMLPAR3
SCHEMBL13825811 0.82 ADRB2 (0.36) TSHRTHRBFDPSGGPS1SMPD1

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
WO-2012091154-A1 METHOD OF PRODUCING A HYDROLYZABLE SILICON-CONTAINING COMPOUND WASEDA UNIVERSITY (JP) 2012-07-05 WO disclosed
WO-2008153967-A1 BK1 ANTAGONIST CONJUGATES CONTEC THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
US-4504688-A Process for the preparation of pure alkyl tert-alkyl ethers and hydrocarbon raffinates which are largely free from isoolefins and from alkanols EC ERDOLCHEMIE GMBH (DE) 1985-03-12 US disclosed
US-4376094-A Method of disinfecting and a method for destroying bacteria and fungi using 2-substituted glutaraldehydes STERLING DRUG INC. (US) 1983-03-08 US disclosed
EP-0068218-A1 Process for the preparation of pure alkyl-tert.-alkyl ethers and hydrocarbonaceous raffinates freed for the major part from isoolefines and alkanols BAYER AG (DE) 1983-01-05 EP disclosed