SCHEMBL17052007

SCHEMBL17052007

CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(C#N)cc4)cc(-c4ccc5cc6cc(C)ccc6cc5c4)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 8/20 0.38
ICMT O60725 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
PDK2 Q15119 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MGAT2 Q10469 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
SCHEMBL17051757 1.00 TSHR (0.39) TSHRHSD17B10HRH3ICMTKDM4E
SCHEMBL17051985 0.92 TSHR (0.44) TSHRHSD17B10HRH3ICMTKDM4E
SCHEMBL17051695 0.92 TSHR (0.44) TSHRHSD17B10HRH3ICMTKDM4E
SCHEMBL17051693 0.91 TSHR (0.43) TSHRHSD17B10HRH3ICMTKDM4E
SCHEMBL17051755 0.91 TSHR (0.34) TSHRHSD17B10HRH3ICMTKDM4E
SCHEMBL17052005 0.89 TSHR (0.35) TSHRHSD17B10HRH3KDM4EALDH1A1
SCHEMBL17051698 0.87 TSHR (0.44) TSHRHSD17B10ICMTKDM4EALDH1A1
SCHEMBL17051998 0.86 TSHR (0.39) TSHRHSD17B10ICMTKDM4EALDH1A1
SCHEMBL17051740 0.86 TSHR (0.39) TSHRHSD17B10ICMTKDM4EALDH1A1
SCHEMBL17051694 0.84 TSHR (0.39) TSHRHSD17B10HRH3ICMTKDM4E

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
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed