SCHEMBL10795241

SCHEMBL10795241

C=C(CCCCCCCCCCCCCCCCCC)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN1 P18031 2/20 0.44
CDC25B P30305 1/20 0.44
EPHX2 P34913 1/20 0.44
TSHR P16473 1/20 0.42
PLA2G4B P0C869 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPSE Q9Y251 1/20 0.40

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
SCHEMBL9496959 1.00 CETP (0.47) CETPMEN1KMT2APTPN1CDC25B
SCHEMBL23533399 0.86 CETP (0.46) CETPMEN1KMT2APTPN1CDC25B
SCHEMBL10800324 0.86 CETP (0.46) CETPMEN1KMT2ATSHRPLA2G4B
SCHEMBL10764708 0.84 MMP9 (0.40) KMT2ATSHR
SCHEMBL10798829 0.81 CETP (0.54) CETPMEN1KMT2APTPN1CDC25B
SCHEMBL31287839 0.81 CETP (0.54) CETPMEN1KMT2APTPN1CDC25B
SCHEMBL10760738 0.81 CETP (0.47) CETPMEN1KMT2APTPN1CDC25B
SCHEMBL8659917 0.81 CETP (0.54) CETPMEN1KMT2APTPN1CDC25B
SCHEMBL29344326 0.80 TSHR (0.52) TSHR
SCHEMBL10390190 0.79 CETP (0.51) CETPMEN1KMT2APTPN1CDC25B

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
US-4673672-A ANTITUMOR AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1987-06-16 US disclosed