SCHEMBL9253922

SCHEMBL9253922

CC[C@H](C)COCCc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.43
ESR2 Q92731 3/20 0.43
SLC6A2 P23975 4/20 0.42
ADRA2A P08913 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 2/20 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
TST Q16762 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
SCHEMBL9262035 1.00 ESR1 (0.43) ESR1ESR2SLC6A2ADRA2AALDH1A1
SCHEMBL9260483 0.90 ESR1 (0.47) ESR1ESR2SLC6A2ADRA2AALDH1A1
SCHEMBL9259724 0.90 ESR1 (0.47) ESR1ESR2SLC6A2ADRA2AALDH1A1
SCHEMBL9256263 0.89 ESR1 (0.50) ESR1ESR2SLC6A2ADRA2AALDH1A1
SCHEMBL9256267 0.89 ESR1 (0.50) ESR1ESR2SLC6A2ADRA2AALDH1A1
SCHEMBL19232139 0.84 HPGD (0.43) ESR1ESR2SLC6A2ADRA2AALDH1A1
SCHEMBL31651134 0.84 ESR1 (0.48) ESR1ESR2SLC6A2ADRA2AALDH1A1
SCHEMBL19123038 0.83 TAAR1 (0.39) SLC6A2SLC6A4SLC6A3KDM4EPTGS1
SCHEMBL19287395 0.82 CA1 (0.38) TP53CA2SIGMAR1NPC1MAPT
SCHEMBL9260592 0.81 MAPT (0.59) ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2131443-A None JP disclosed
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
JP-H02131443-A NEW OPTICALLY ACTIVE PHENOL DERIVATIVE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1990-05-21 JP 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