SCHEMBL9405317

SCHEMBL9405317

CCOc1ccc(C(C)(c2ccc(O)cc2)c2ccc(OCC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.66
NQO1 P15559 1/20 0.54
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NR5A1 Q13285 1/20 0.47
MAOB P27338 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.45
CYP3A4 P08684 1/20 0.45
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
ESRRG P62508 1/20 0.45

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
SCHEMBL12588045 1.00 LTA4H (0.66) LTA4HNQO1ESR1ESR2MEN1
SCHEMBL14179227 0.95 LTA4H (0.59) LTA4HNQO1ESR1ESR2MEN1
SCHEMBL13311537 0.90 NQO1 (0.67) LTA4HNQO1TSHRTDP1LMNA
SCHEMBL12050061 0.89 LTA4H (0.66) LTA4HNQO1ESR1ESR2MEN1
1-Hydroxy-4-Ethoxybenzene SCHEMBL12476725 0.85 LTA4H (0.86) LTA4HNQO1NR5A1MAOBABCG2
1-Hydroxy-4-Ethoxybenzene SCHEMBL28520 0.85 LTA4H (0.86) LTA4HNQO1NR5A1MAOBABCG2
SCHEMBL8761121 0.85 LTA4H (0.61) LTA4HNQO1ESR1ESR2NR5A1
SCHEMBL13209795 0.84 NQO1 (0.58) LTA4HNQO1ESR1TSHRTDP1
SCHEMBL20486803 0.84 LTA4H (0.66) LTA4HESR1ESR2MEN1KMT2A
1-Hydroxy-4-Ethoxybenzene SCHEMBL8054038 0.83 LTA4H (0.83) LTA4HNQO1NR5A1MAOBABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6287293-A None JP disclosed
US-7955659-B2 Grafting a 4'-(trihydroxysilyoxy)-4-hydroxybiphenyl onto a vinyl or allylic fluoropolymer, coating on a glass substrate, heating to cure and crosslink; top layer coatings for fuser rolls used in printing and copying XEROX CORPORATION (US) 2011-06-07 US disclosed
US-7767758-B2 Silane functionalized fluoropolymers XEROX CORPORATION (US) 2010-08-03 US disclosed
US-20080213491-A1 Silane Functionalized Fluoropolymers U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2008-09-04 US disclosed
US-20080205950-A1 Silane Functionalized Fluoropolymers XEROX CORPORATION 2008-08-28 US disclosed
JP-H06287293-A AROMATIC POLYCARBONATE MITSUI TOATSU CHEM INC 1994-10-11 JP disclosed