SCHEMBL10071985

SCHEMBL10071985

CCCC(CCCO)C(C)(C)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.42
ESR2 Q92731 11/20 0.42
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP3A4 P08684 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TYR P14679 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38
SHBG P04278 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10071757 0.89 ESR1 (0.40) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL27980865 0.83 ESR1 (0.50) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7608542 0.81 MEN1 (0.35) LMNAALDH1A1HIF1AMEN1KMT2A
SCHEMBL7005030 0.77 ESR1 (0.51) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL8064735 0.74 ESR1 (0.47) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL13068596 0.74 MME (0.44) ESR1ESR2SLC6A2SLC6A3CYP3A4
SCHEMBL7603499 0.73 LMNA (0.41) LMNAHSD17B10TSHRALDH1A1MEN1
SCHEMBL7605249 0.73 LMNA (0.41) LMNAHSD17B10TSHRALDH1A1MEN1
SCHEMBL6302501 0.73 ESR1 (0.46) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL31320421 0.72 PTGS2 (0.46) CYP3A4PTGS2

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
EP-2143750-B1 Aromatic polycarbonate composition, process for producing the same, and hollow container therefrom MITSUBISHI CHEM CORP (JP) 2012-06-27 EP disclosed