SCHEMBL23600129

SCHEMBL23600129

CCCCc1cc(F)c(C#Cc2ccc(-c3ccc(C)cc3)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RARB P10826 5/20 0.36
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
FFAR1 O14842 1/20 0.36
KCNH2 Q12809 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 1/20 0.33
SKP2 Q13309 1/20 0.33
ATM Q13315 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
HSD11B1 P28845 1/20 0.32
GRM5 P41594 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
SCHEMBL14846051 0.92 TSHR (0.48) TSHRHSD17B10RARBRARARARG
SCHEMBL20005274 0.90 TSHR (0.43) TSHRHSD17B10RARBRARARARG
SCHEMBL14773018 0.89 TSHR (0.46) TSHRHSD17B10RARBRARARARG
SCHEMBL15980421 0.89 TSHR (0.46) TSHRHSD17B10RARBRARARARG
SCHEMBL14365592 0.89 TSHR (0.46) TSHRHSD17B10RARBRARARARG
SCHEMBL15980423 0.89 HSD17B10 (0.52) TSHRHSD17B10RARBRARARARG
SCHEMBL8755306 0.89 TSHR (0.42) TSHRHSD17B10RARBRARARARG
SCHEMBL8755679 0.88 RARB (0.41) TSHRHSD17B10RARBRARARARG
SCHEMBL7081007 0.88 HSD17B10 (0.38) TSHRHSD17B10RARBRARARARG
SCHEMBL8979017 0.87 FFAR1 (0.43) TSHRHSD17B10FFAR1KCNH2PTPN11

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
WO-2021127949-A1 LIQUID CRYSTAL COMPOSITION ADAPTABLE TO RELATIVELY WIDE OPERATING TEMPERATURES AND USE THEREOF IN DEVICE 北京八亿时空液晶科技股份有限公司 2021-07-01 WO disclosed