SCHEMBL6666053

SCHEMBL6666053

CCCCCc1ccc(C(F)(F)OCCc2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DAO P14920 1/20 0.37
AR P10275 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
HTR2A P28223 1/20 0.35
RORC P51449 1/20 0.35
FAAH O00519 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RARB P10826 2/20 0.34

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
SCHEMBL6661244 0.92 DAO (0.39) DAOARTRPV4RORCKDM1A
SCHEMBL6665018 0.88 DAO (0.39) DAOARTRPV4RORCKDM1A
SCHEMBL6662921 0.87 HSD17B10 (0.39) TSHRHSD17B10TRPV4HTR2AFAAH
SCHEMBL6663942 0.86 HTR2A (0.40) HSD17B10HTR2AFAAHALDH1A1RARB
SCHEMBL7729846 0.85 DAO (0.38) TSHRHSD17B10DAOARTRPV4
SCHEMBL6667092 0.84 SPHK1 (0.35) RORCKDM1A
SCHEMBL6666748 0.83 HSD17B10 (0.57) TSHRHSD17B10HTR2AFAAHALDH1A1
SCHEMBL6662863 0.83 HTR2A (0.40) HSD17B10HTR2AFAAHALDH1A1RARB
SCHEMBL6662949 0.83 FAAH (0.46) HSD17B10HTR2AFAAHALDH1A1S1PR1
SCHEMBL9240972 0.83 HSD17B10 (0.49) TSHRHSD17B10DAOTRPV4HTR2A

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed