SCHEMBL28898307

SCHEMBL28898307

C=C(C(=O)O)c1c(CC)cc(C)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TPMT P51580 1/20 0.35
GPR35 Q9HC97 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HCAR1 Q9BXC0 1/20 0.31
HPGD P15428 5/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSPO P30536 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA2 Q15596 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL457470 0.79 KDM4E (0.40) KDM4EL3MBTL1TPMTGPR35NPSR1
SCHEMBL28268711 0.79 KDM4E (0.50) KDM4EL3MBTL1TPMTNPSR1HCAR1
SCHEMBL16485118 0.77 ALDH1A1 (0.41) KDM4EL3MBTL1TPMTGPR35NPSR1
SCHEMBL17131532 0.74 KDM4E (0.37) KDM4EL3MBTL1TPMTGPR35NPSR1
SCHEMBL580070 0.72 POLB (0.39) KDM4EL3MBTL1TPMTHPGDALDH1A1
SCHEMBL15341175 0.71 KDM4E (0.36) KDM4EL3MBTL1TPMTNPSR1HPGD
SCHEMBL11763098 0.71 KDM4E (0.36) KDM4EL3MBTL1TPMTNPSR1HPGD
SCHEMBL28711423 0.71 ALDH1A1 (0.33) KDM4EL3MBTL1HPGDALDH1A1HTT
SCHEMBL457973 0.69 KDM4E (0.35) KDM4EL3MBTL1TPMTNPSR1HPGD
Hydrochloric Acid SCHEMBL15334063 0.68 KDM4E (0.34) KDM4EL3MBTL1TPMTNPSR1HPGD

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-111440192-B Method for preparing pinoxaden intermediate through micro-channel 山东华科化工有限公司 2022-11-25 CN disclosed