SCHEMBL7790844

SCHEMBL7790844

CC(=O)c1cccc2c1CC=[C]2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
BRPF1 P55201 1/20 0.30

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
SCHEMBL7784977 0.71 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7794474 0.64 THRB (0.35) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL279655 0.63 ALDH1A1 (0.53) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL23849740 0.63 DRD2 (0.42) KDM4EALDH1A1HPGDDRD2
SCHEMBL3396949 0.63 ALDH1A1 (0.47) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL29573534 0.63 ALDH1A1 (0.47) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL31359858 0.63 BCL2L1 (0.52) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL4570298 0.63 BCL2L1 (0.52) LMNAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL38573232 0.62 KDM4E (0.55) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL7119411 0.62 KDM4E (0.55) LMNAKDM4EALDH1A1SMN1; SMN2HPGD

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-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed