SCHEMBL6662936

SCHEMBL6662936

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2C P28335 1/20 0.37
HSPE1 P61604 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL6666043 0.91 TRPV4 (0.36) HSD17B10ALDH1A1KDM4EHPGDNPSR1
SCHEMBL6666060 0.88 HSD17B10 (0.41) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL6662869 0.86 ESR1 (0.41) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL6663198 0.86 CYP2A6 (0.38) ALDH1A1LMNACYP3A4HPGDRAB9A
SCHEMBL6663951 0.84 ESR1 (0.42) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL6661197 0.84 ESR1 (0.40) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL6666752 0.82 HSD17B10 (0.58) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL6661956 0.81 ESR1 (0.38) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL6662961 0.81 ESR1 (0.50) HSD17B10ESR1ADRA2AADORA3TACR2
SCHEMBL6666308 0.81 ESR1 (0.40) HSD17B10ESR1ADRA2AADORA3TACR2

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