SCHEMBL9292913

SCHEMBL9292913

CCCCCc1ccc(C#Cc2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42
HSPE1 P61604 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL9361863 0.99 HSD17B10 (0.56) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9293949 0.99 HSD17B10 (0.56) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9294077 0.99 HSD17B10 (0.56) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9293749 0.99 HSD17B10 (0.56) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9294030 0.99 HSD17B10 (0.56) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9293952 0.96 HSD17B10 (0.48) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL10451854 0.96 HSD17B10 (0.48) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL8979050 0.92 HSD17B10 (0.58) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL8978940 0.91 HSD17B10 (0.61) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL8979113 0.91 HSD17B10 (0.61) HSD17B10TSHRESR1ADRA2AADORA3

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
EP-0442266-B1 Tolan derivatives, liquid crystal compositions containing them, and liquid crystal elements using them SEIKO EPSON CORP (JP) 1994-12-28 EP disclosed
US-5314640-A Tolan derivatives, liquid crystal compositions including same, liquid crystal display devices including the compositions and method of preparation SEIKO EPSON CORPORATION (JP) 1994-05-24 US disclosed
EP-0442266-A1 Tolan derivatives, liquid crystal compositions containing them, and liquid crystal elements using them SEIKO EPSON CORPORATION (JP) 1991-08-21 EP disclosed