SCHEMBL28485263

SCHEMBL28485263

O=C(O)CCCCCCCc1c[nH]c2cc(Cl)c(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.51
F13A1 P00488 3/20 0.44
MPO P05164 2/20 0.44
CYP2C19 P33261 2/20 0.44
GPR17 Q13304 1/20 0.44
HPGD P15428 1/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
SLC6A4 P31645 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL28489662 0.95 CSNK2A1 (0.53) CSNK2A1MPOCYP2C19GPR17HPGD
SCHEMBL8800942 0.81 CSNK2A1 (0.58) CSNK2A1CYP2C19GPR17HPGDMTNR1A
Octanoic Acid SCHEMBL435382 0.79 CYP1A2 (0.42) CSNK2A1MTNR1AMEN1CYP1A2KMT2A
Decanoic Acid SCHEMBL4214099 0.79 CYP1A2 (0.42) CSNK2A1MTNR1AMEN1CYP1A2KMT2A
Nonanoate SCHEMBL27808330 0.79 CYP1A2 (0.42) CSNK2A1MTNR1AMEN1CYP1A2KMT2A
Palmitic Acid SCHEMBL432626 0.79 CYP1A2 (0.42) CSNK2A1MTNR1AMEN1CYP1A2KMT2A
SCHEMBL5343010 0.79 GFER (0.62) MPOCYP2C19HPGDMTNR1AMTNR1B
SCHEMBL27498673 0.75 GPR17 (0.45) F13A1MPOCYP2C19GPR17HPGD
SCHEMBL5338627 0.74 MPO (0.78) MPOMTNR1AMTNR1BSLC6A4
Butyric Acid SCHEMBL433437 0.74 CYP1A2 (0.46) CSNK2A1GPR17HPGDMEN1LMNA

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-211972331-U Instant grid color development flat plate for separating and screening salmonella 中国检验检疫科学研究院 2020-11-20 CN disclosed