SCHEMBL30835552

SCHEMBL30835552

CCc1c(C)c(=O)n(C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.48
NPEPPS P55786 1/20 0.48
TSHR P16473 3/20 0.46
NQO2 P16083 1/20 0.46
EGFR P00533 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
GPR3 P46089 1/20 0.45
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL21939787 1.00 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HPGDNPEPPS
SCHEMBL20670034 0.80 GPR3 (0.54) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL1925036 0.78 GPR3 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDNPEPPS
SCHEMBL10315671 0.78 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2HPGDNPEPPS
SCHEMBL30746806 0.76 ALDH1A1 (0.74) KDM4EALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL29173719 0.76 ALDH1A1 (0.74) KDM4EALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL24312069 0.76 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2HPGDNPEPPS
SCHEMBL31223937 0.75 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDNQO2
SCHEMBL13312790 0.75 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL10216426 0.75 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2HPGDLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed