SCHEMBL820119

SCHEMBL820119

COCC(C(=O)Cl)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 7/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
HSD11B1 P28845 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL888273 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATSHREPHX2
SCHEMBL819517 0.83 EPHX2 (0.40) ALDH1A1MEN1KMT2AEPHX2NPC1
SCHEMBL888548 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHREPHX2
SCHEMBL819752 0.81 EPHX2 (0.41) ALDH1A1MEN1KMT2AEPHX2NPC1
SCHEMBL4424458 0.70 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AEPHX2ATM
SCHEMBL888450 0.70 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AEPHX2NPC1
SCHEMBL28524736 0.69 EPHX2 (0.40) ALDH1A1MEN1KMT2AEPHX2NPC1
SCHEMBL4138799 0.69 NPC1 (0.50) ALDH1A1MEN1KMT2AEPHX2NPC1
SCHEMBL9244526 0.68 EPHX2 (0.47) ALDH1A1MEN1KMT2AEPHX2NPC1
SCHEMBL888633 0.68 LMNA (0.42) ALDH1A1MEN1KMT2AEPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288488-B2 Process for producing solid catalyst component for olefin polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20110269929-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed