SCHEMBL29222012

SCHEMBL29222012

O=C(Cc1ccccc1)OC(=O)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.62
KDM4E B2RXH2 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
POLB P06746 3/20 0.48
GAA P10253 1/20 0.48
GPR52 Q9Y2T5 1/20 0.47
CDC25B P30305 2/20 0.46
PTPN1 P18031 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL22408797 0.85 KDM4E (0.53) HPGDKDM4EL3MBTL1NR4A1NR4A2
Benzene SCHEMBL28284945 0.83 NR4A1 (0.67) HPGDKDM4EL3MBTL1NR4A1NR4A2
SCHEMBL29459734 0.81 NR4A1 (0.63) HPGDKDM4EL3MBTL1NR4A1NR4A2
SCHEMBL137605 0.81 NR4A1 (0.63) HPGDKDM4EL3MBTL1NR4A1NR4A2
SCHEMBL10781207 0.80 ALDH1A1 (0.59) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27427211 0.80 NR4A1 (0.62) HPGDKDM4EL3MBTL1NR4A1NR4A2
SCHEMBL29262289 0.79 NR4A1 (0.61) HPGDKDM4EL3MBTL1NR4A1NR4A2
Potassium SCHEMBL6929965 0.79 NR4A1 (0.61) HPGDKDM4EL3MBTL1NR4A1NR4A2
SCHEMBL11422834 0.79 NR4A1 (0.61) HPGDKDM4EL3MBTL1NR4A1NR4A2
SCHEMBL14672373 0.79 NR4A1 (0.61) HPGDKDM4EL3MBTL1NR4A1NR4A2

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-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 CN disclosed