SCHEMBL4949879

SCHEMBL4949879

CCCCCCCCCc1ccc(-c2[c]ccc(CCCCCCCC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL2722607 0.97 HSD11B1 (0.44) HSD17B10TSHRALDH1A1ESR1ADRA2A
SCHEMBL1936798 0.89 HSD11B1 (0.47) HTR2AHSD11B1LPLLIPG
SCHEMBL15067037 0.88 PTGS2 (0.46) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL15067040 0.88 PTGS2 (0.46) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL15067049 0.88 PTGS2 (0.46) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL2569468 0.87 KCNH2 (0.38) HSD17B10TSHRALDH1A1ESR1ADRA2A
SCHEMBL6493292 0.86 CNR1 (0.40) HSD17B10ALDH1A1TP53MEN1MAPT
SCHEMBL15067603 0.86 PTGS2 (0.44) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL10891667 0.84 HSD17B10 (0.42) HSD17B10TSHRALDH1A1ESR1ADRA2A
SCHEMBL4458305 0.83 NPC1 (0.47) ADORA3LMNAADORA2ARARBGAA

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
US-7449539-B2 Silsesquioxane derivative and production process for the same CHISSO CORPORATION (JP) 2008-11-11 US disclosed