SCHEMBL6440967

SCHEMBL6440967

O=C1CC2=C(C=CC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
CES1 P23141 3/20 0.36
BCHE P06276 2/20 0.36
MAOA P21397 4/20 0.34
CDC25B P30305 2/20 0.34
MAOB P27338 2/20 0.34
IDO1 P14902 1/20 0.34
AKT1 P31749 1/20 0.34
SNCA P37840 1/20 0.34
MAP2K1 Q02750 1/20 0.34
PIN1 Q13526 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
NSD1 Q96L73 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
S100A4 P26447 2/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
PKM P14618 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
SCHEMBL11837883 0.81 CES1 (0.34) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL10900576 0.73 MAOA (0.36) KDM4ECES1BCHEMAOACDC25B
SCHEMBL29353628 0.72 CES1 (0.52) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL88188 0.72 CES1 (0.52) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL28829617 0.72 MAOA (0.36) KDM4ECES1BCHEMAOACDC25B
SCHEMBL1501865 0.71 CDC25B (0.41) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL10556518 0.70 MAOA (0.53) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL31741221 0.70 CES1 (0.50) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL20366857 0.68 CDC25B (0.56) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL1053387 0.68 CES1 (0.46) KDM4EALDH1A1HPGDCES1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927264-B2 Metal complexes and polymerization process using same DOW GLOBAL TECHNOLOGIES INC. (US) 2005-08-09 US disclosed
US-20040249092-A1 Olefin polymerization catalyst; anionic, polycyclic, fused ring ligand system containing at least 4 fused rings, at least one such ring comprising at least one heteroatom, said ligand being bonded to M by means of delocalized pi -electrons DOW GLOBAL TECHNOLOGIES LLC 2004-12-09 US disclosed