SCHEMBL9260714

SCHEMBL9260714

CCCOC(CC)OCCCCc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.54
SLC6A2 P23975 3/20 0.54
ADRA2A P08913 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
TACR2 P21452 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CHRM1 P11229 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
SHBG P04278 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
HSPD1 P10809 1/20 0.54
ADRB3 P13945 1/20 0.54
HTR2C P28335 1/20 0.54
HSPE1 P61604 1/20 0.54
HIF1A Q16665 1/20 0.54
TST Q16762 1/20 0.54

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
SCHEMBL9260224 0.89 ESR1 (0.46) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL9252735 0.84 RARB (0.57) ALDH1A1TP53TSHR
SCHEMBL9259773 0.84 HSD17B10 (0.49) ALDH1A1HSD17B10
SCHEMBL9261990 0.80 THRB (0.47) LMNA
SCHEMBL28656684 0.78 ESR1 (0.63) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL9260132 0.78 ESR1 (0.54) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL9260716 0.78 ESR1 (0.50) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL9260721 0.77 ESR1 (0.61) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL28660282 0.77 ESR1 (0.67) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL9396860 0.76 ESR1 (0.51) ESR1SLC6A2ADRA2AADORA3TACR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed