SCHEMBL7704879

SCHEMBL7704879

CC=CC(=O)C(O)C(O)Cc1ccc(C(C)(C)c2ccc(CC(O)C(O)C(=O)C=CC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.35
ACACB O00763 4/20 0.35
GRB2 P62993 1/20 0.33
BCHE P06276 1/20 0.33
BACE1 P56817 1/20 0.33
AR P10275 2/20 0.32
ESRRG P62508 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR6 P50406 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL14719491 0.79 AR (0.49) ARHSD17B10NPC1RAB9AMEN1
SCHEMBL95440 0.73 MEN1 (0.35) TSHRTP53ACACBARMEN1
SCHEMBL27946212 0.73 HTT (0.36) TSHRARESRRGESR1CYP3A4
SCHEMBL8007519 0.69 ESR1 (0.46) TSHRTP53RECQLACACBAR
SCHEMBL4410147 0.69 TSHR (0.51) TSHRTP53RECQLACACBGRB2
SCHEMBL4410153 0.69 AR (0.49) TSHRTP53RECQLGRB2AR
SCHEMBL41070 0.68 ESR1 (0.44) TSHRTP53ACACBARESRRG
SCHEMBL21812152 0.68 TSHR (0.37) TSHRTP53ACACBCYP3A4NPC1
SCHEMBL28305244 0.65 THRB (0.47) TSHRTP53RECQLARESRRG
SCHEMBL5665294 0.65 ESR1 (0.41) TSHRTP53ESR1CYP3A4ESR2

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
US-6353039-B1 CROSSLINKING POLYMER COMPOSITES AND TRANSPARENT GLASS IVOCLAR AG (LI) 2002-03-05 US claimed