SCHEMBL9899733

SCHEMBL9899733

CC1(C(=O)O)CC=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C1 Q04828 1/20 0.34
MEN1 O00255 1/20 0.34
ADRB2 P07550 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KIF11 P52732 2/20 0.33
MAPK1 P28482 1/20 0.33
NOTUM Q6P988 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HDAC4 P56524 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL10931639 0.82 MEN1 (0.40) MEN1KMT2AKIF11MAPTHDAC4
SCHEMBL3628517 0.79 CSNK2A1 (0.35) MEN1KMT2ATP53MAPTCYP3A4
SCHEMBL9155004 0.79 THRB (0.37) THRBTDP1AKR1C1NPSR1KIF11
Hydrochloric Acid SCHEMBL28933194 0.77 THRB (0.36) THRBTDP1AKR1C1NPSR1KIF11
SCHEMBL461337 0.77 THRB (0.40) THRBTDP1AKR1C1NPSR1KIF11
SCHEMBL4346969 0.76 THRB (0.35) THRBTDP1AKR1C1KIF11HDAC4
SCHEMBL8489491 0.76 THRB (0.35) THRBTDP1AKR1C1KIF11HDAC4
SCHEMBL9302017 0.76 THRB (0.35) THRBTDP1AKR1C1KIF11HDAC4
SCHEMBL8491987 0.76 TDP1 (0.35) THRBTDP1AKR1C1MEN1KMT2A
SCHEMBL28435630 0.76 CYP3A4 (0.37) MEN1KMT2AKIF11TP53MAPT

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
WO-2012077140-A1 COMPOSITION FOR THE TREATMENT OF FRUIT AND VEGETABLE PRODUCTS CONSORZIO DELLE BUONE IDEE SOCIETA' CONSORTILE A RESPONSABILITA' LIMITATA (IT) 2012-06-14 WO disclosed