SCHEMBL9260716

SCHEMBL9260716

CCCO[C@@H](C)COCCCCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50
TST Q16762 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL9260228 0.90 TDP1 (0.45) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9252739 0.84 RARB (0.52) ALDH1A1TP53SMN1; SMN2NPC1MAPT
SCHEMBL9396860 0.82 ESR1 (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9261995 0.82 THRB (0.44) ALDH1A1LMNACYP3A4TDP1L3MBTL1
SCHEMBL28656684 0.81 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9260132 0.81 ESR1 (0.54) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9256267 0.81 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9256263 0.81 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9260721 0.80 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28660282 0.80 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2

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