SCHEMBL9176124

SCHEMBL9176124

CC(C)(C)c1ccc2cc(OP(Oc3cc4ccccc4cc3C(C)(C)C)Oc3cc4ccc(C(C)(C)C)cc4cc3C(C)(C)C)c(C(C)(C)C)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
APEX1 P27695 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MAPK14 Q16539 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL29696267 0.95 NR1I2 (0.37) NR1I2KCNH2NPC1ALDH1A1RAB9A
SCHEMBL2910870 0.95 NR1I2 (0.37) NR1I2KCNH2NPC1ALDH1A1RAB9A
SCHEMBL29682572 0.95 NR1I2 (0.37) NR1I2KCNH2NPC1ALDH1A1RAB9A
SCHEMBL9171871 0.93 CYP1A2 (0.36) NR1I2APEX1NPC1RAB9AGAA
SCHEMBL7211150 0.93 CYP1A2 (0.36) NR1I2APEX1NPC1RAB9AGAA
SCHEMBL4611876 0.93 KCNH2 (0.36) NR1I2APEX1KCNH2NPC1ALDH1A1
SCHEMBL6165754 0.93 NR1I2 (0.35) NR1I2APEX1KCNH2NPC1ALDH1A1
SCHEMBL9171410 0.93 NR1I2 (0.35) NR1I2APEX1KCNH2NPC1ALDH1A1
SCHEMBL4612951 0.91 KCNH2 (0.35) NR1I2APEX1KCNH2ALDH1A1CYP3A4
SCHEMBL9176861 0.90 KCNH2 (0.32) NR1I2APEX1KCNH2

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
EP-0503564-B1 Method for producing an aldehyde MITSUBISHI CHEM CORP (JP) 1995-06-14 EP disclosed
US-5306839-A Ligands for hydroformylation catalysts MITSUBISHI KASEI CORPORATION (JP) 1994-04-26 US disclosed
US-5227532-A Hydroformylation of olefin, rhodium catalyst, phosphite promoter MITSUBISHI KASEI CORPORATION (JP) 1993-07-13 US disclosed
EP-0503564-A2 Method for producing an aldehyde Mitsubishi Chemical Corporation (JP) 1992-09-16 EP disclosed