SCHEMBL14915212

SCHEMBL14915212

CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
THRB P10828 1/20 0.40
DNM1 Q05193 3/20 0.38
HSD17B10 Q99714 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TOP1 P11387 2/20 0.33
GPR84 Q9NQS5 6/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32

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
SCHEMBL14914373 0.97 TSHR (0.35) TSHRTHRBDNM1HSD17B10GMNN
SCHEMBL14914216 0.90 TSHR (0.32) TSHRTHRBHSD17B10GMNNUSP2
SCHEMBL14915032 0.80 TSHR (0.40) TSHRTHRBHSD17B10CYP1A2GPR84
SCHEMBL14914749 0.80 TSHR (0.40) TSHRTHRBHSD17B10CYP1A2GPR84
SCHEMBL14915179 0.79 TSHR (0.44) TSHRTHRBDNM1HSD17B10ALDH1A1
SCHEMBL14915226 0.79 TSHR (0.44) TSHRTHRBDNM1HSD17B10ALDH1A1
SCHEMBL14914312 0.76 TSHR (0.39) TSHRTHRBDNM1HSD17B10ALDH1A1
SCHEMBL14914779 0.69 TSHR (0.44) TSHRTHRBDNM1HSD17B10ALDH1A1
Heptane SCHEMBL11520180 0.68 TSHR (0.61) TSHRTHRBDNM1HSD17B10ALDH1A1
Decane SCHEMBL10984014 0.68 TSHR (0.61) TSHRTHRBDNM1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130115520-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL ELEMENT UTILIZING SAME UBE INDUSTRIES, LTD. (JP) 2013-05-09 US disclosed