SCHEMBL2602746

SCHEMBL2602746

C=CC(=O)OCCNC(=O)OC(COCCC)COCCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.38
ACHE P22303 8/20 0.37
CYP3A4 P08684 1/20 0.37
TLR2 O60603 1/20 0.35

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
SCHEMBL30341924 0.90 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30341925 0.86 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23741938 0.84 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14102326 0.84 TSHR (0.48) TSHRHPGDACHE
SCHEMBL18116695 0.82 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13872078 0.82 TSHR (0.54) TSHRHPGDACHE
SCHEMBL2602747 0.81 TSHR (0.45) TSHRTHRBACHETLR2
SCHEMBL17933308 0.81 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23741835 0.81 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15294454 0.81 TSHR (0.43) TSHRHPGDACHETLR2

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
US-8623478-B2 Organic semiconductor ink composition and method for forming organic semiconductor pattern using the same DIC CORPORATION (JP) 2014-01-07 US disclosed
US-20120100667-A1 ORGANIC SEMICONDUCTOR INK COMPOSITION AND METHOD FOR FORMING ORGANIC SEMICONDUCTOR PATTERN USING THE SAME DIC CORPORATION (JP) 2012-04-26 US disclosed
US-20120100667-A1 ORGANIC SEMICONDUCTOR INK COMPOSITION AND METHOD FOR FORMING ORGANIC SEMICONDUCTOR PATTERN USING THE SAME DIC CORPORATION (JP) 2012-04-26 US disclosed