SCHEMBL21728097

SCHEMBL21728097

C=CCOc1cc(C#N)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.44
TRPV4 Q9HBA0 2/20 0.40
ALDH1A1 P00352 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
CYP2A6 P11509 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6550839 0.82 TRPV4 (0.38) TRPV4ALDH1A1HPGDKDM4EMAPT
SCHEMBL22140450 0.81 TRPV4 (0.43) ARTRPV4ALDH1A1HPGDKDM4E
SCHEMBL5418640 0.79 TRPV4 (0.59) ARTRPV4ALDH1A1MRGPRX4PTGDR2
SCHEMBL7816047 0.79 HPGD (0.51) ALDH1A1HPGDMAPTGAATSHR
SCHEMBL506595 0.79 ALDH1A1 (0.42) ARALDH1A1PTGDR2HPGDKDM4E
SCHEMBL14206692 0.77 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL22215813 0.77 ALDH1A1 (0.50) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL28857557 0.76 HPGD (0.40) TRPV4ALDH1A1PTGDR2HPGDKDM4E
SCHEMBL6549707 0.76 VCAM1 (0.47) TRPV4ALDH1A1KDM4EMAPTMEN1
SCHEMBL25322559 0.76 GAA (0.54) ALDH1A1PTGDR2HPGDKDM4EMAPT

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
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed