SCHEMBL28420165

SCHEMBL28420165

Cc1cccc(C(=O)OC2=CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
ESR1 P03372 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
ESR2 Q92731 1/20 0.48
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
PARP1 P09874 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL8132876 0.84 MAPK1 (0.41) KMT2AESR1MEN1POLBESR2
SCHEMBL9341204 0.81 KMT2A (0.49) KMT2AMEN1MAPTCYP1A2CYP2C9
SCHEMBL6353529 0.76 KMT2A (0.51) KMT2AESR1MEN1ESR2MAPT
SCHEMBL8138563 0.74 KMT2A (0.39) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2405002 0.73 KMT2A (0.48) KMT2AESR1MEN1POLBESR2
SCHEMBL30445485 0.73 CA1 (0.51) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL30445691 0.73 KMT2A (0.44) KMT2AESR1MEN1ESR2MAPT
SCHEMBL11666119 0.73 MAPT (0.70) KMT2AESR1MEN1POLBESR2
SCHEMBL16247996 0.73 MAPT (0.70) KMT2AESR1MEN1POLBESR2
SCHEMBL10663480 0.72 ALDH1A1 (0.33) KMT2AESR1MEN1ESR2MAPT

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
CN-111374149-A Hydrogen peroxide-based disinfection sterilizing agent and preparation method thereof 浙江施维康生物医学材料有限公司 2020-07-07 CN disclosed