SCHEMBL30513670

SCHEMBL30513670

OCCOCCOCC(O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 2/20 0.33
ABCB11 O95342 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL2821675 1.00 KMT2A (0.38) KMT2AMEN1NR1H2NR1H3ALDH1A1
SCHEMBL4300671 0.89 KIF11 (0.42) KMT2AMEN1NR1H2NR1H3LMNA
SCHEMBL4194075 0.84 LMNA (0.40) NR1H2NR1H3ALDH1A1ADRB2ADRB1
SCHEMBL3238217 0.81 ALDH1A1 (0.43) ALDH1A1ADRB2ADRB1LMNACYP1A2
SCHEMBL8837196 0.74 LMNA (0.44) KMT2AMEN1NR1H2NR1H3ALDH1A1
SCHEMBL10615156 0.74 LMNA (0.44) KMT2AMEN1NR1H2NR1H3ALDH1A1
SCHEMBL28207428 0.74 LMNA (0.44) KMT2AMEN1NR1H2NR1H3ALDH1A1
SCHEMBL224479 0.72 RECQL (0.47) KMT2AMEN1ALDH1A1RECQLADRB2
SCHEMBL7038080 0.72 RECQL (0.47) KMT2AMEN1ALDH1A1RECQLADRB2
SCHEMBL408348 0.72 RECQL (0.47) KMT2AMEN1ALDH1A1RECQLADRB2

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-113731406-B Method for improving palladium carbon activity hydrogenation removal protecting group 南京工业大学 2023-07-28 CN disclosed