SCHEMBL27767006

SCHEMBL27767006

CCCCCCCCCCCCCCC(CCCC)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ESR2 Q92731 2/20 0.53
ADORA3 P0DMS8 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A3 Q01959 3/20 0.50
ADRA2A P08913 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A4 P31645 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
PTGS1 P23219 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 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

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
SCHEMBL3643220 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL27767046 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL27788604 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL17260545 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL5046756 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL27788605 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL9354788 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL27766911 1.00 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL25272659 0.98 ESR1 (0.55) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL12593949 0.98 ESR1 (0.55) ESR1ESR2ADORA3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101616883-B Liquid crystalline compound, liquid crystal composition, and liquid crystal display element CHISSO CORP 2014-06-18 CN disclosed
CN-101616883-A Liquid crystalline compound, liquid crystal composition, and liquid crystal display element CHISSO CORP 2009-12-30 CN disclosed