SCHEMBL7794474

SCHEMBL7794474

CC(=O)c1cccc2c1C[C]=C2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
TRPA1 O75762 4/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
BRD4 O60885 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DRD2 P14416 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
SCHEMBL7790916 0.71 ALDH1A1 (0.45) THRBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4796276 0.67 ALDH1A1 (0.37) THRBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL7790844 0.64 LMNA (0.34) THRBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL279655 0.63 ALDH1A1 (0.53) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL23849740 0.63 DRD2 (0.42) KDM4EALDH1A1HPGDDRD2
SCHEMBL31359858 0.63 BCL2L1 (0.52) THRBKDM4EALDH1A1LMNAHPGD
SCHEMBL29573534 0.63 ALDH1A1 (0.47) THRBKDM4EALDH1A1LMNAHPGD
SCHEMBL3396949 0.63 ALDH1A1 (0.47) THRBKDM4EALDH1A1LMNAHPGD
SCHEMBL7793785 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4570298 0.63 BCL2L1 (0.52) THRBKDM4EALDH1A1LMNAHPGD

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