SCHEMBL29015481

SCHEMBL29015481

COc1cccc2c1ccn2C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
FABP4 P15090 2/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
HTR2C P28335 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2116949 0.85 KDM4E (0.48) HTR6FABP4MTNR1AMTNR1BALDH1A1
SCHEMBL13309267 0.84 NPC1 (0.48) FABP4ALDH1A1MEN1KMT2AHTR2C
SCHEMBL3375069 0.83 TDP1 (0.47) HTR6ALDH1A1MEN1KMT2AHTR2C
SCHEMBL3375727 0.83 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2AHTR2C
SCHEMBL3376524 0.83 KDM1A (0.37) FABP4ALDH1A1MEN1POLBKMT2A
SCHEMBL4231904 0.81 TACR3 (0.46) ALDH1A1MEN1KMT2AHTR2CKDM1A
SCHEMBL7163724 0.80 SRD5A1 (0.51) ALDH1A1MEN1POLBKMT2AHTR2C
SCHEMBL4232805 0.80 TACR3 (0.43) ALDH1A1MEN1KMT2AHTR2CKDM1A
SCHEMBL4235703 0.80 P2RX4 (0.40) ALDH1A1MEN1KMT2AHTR2CKDM1A
SCHEMBL15018734 0.79 HTR6 (0.52) HTR6FABP4MTNR1AMTNR1BALDH1A1

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-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed