SCHEMBL20122782

SCHEMBL20122782

C=CCCCC(C)(CCCCCCCCCCCCC)SI

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
ALDH1A1 P00352 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GGPS1 O95749 1/20 0.33
FAAH O00519 1/20 0.33
CES2 O00748 1/20 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
SCHEMBL22641064 0.72 TSHR (0.56) TSHRALDH1A1CYP1A2BLMHSD17B10
SCHEMBL11900766 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL11900218 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL7153127 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL9819585 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL23539923 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL2848855 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL22322880 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL22164116 0.72 TSHR (1.00) TSHRALDH1A1FAAH
SCHEMBL1548257 0.72 TSHR (1.00) TSHRALDH1A1FAAH

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
EP-2830113-B1 SUBSTRATE FOR ORGANIC ELECTRONIC DEVICE LG DISPLAY CO LTD (KR) 2018-05-09 EP disclosed