SCHEMBL7211545

SCHEMBL7211545

COc1cc(C(C)(C)C)c(OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c(-c2c(C)c(OC)cc(C(C)(C)C)c2OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NR3C1 P04150 2/20 0.33
NR3C2 P08235 2/20 0.33
BRAF P15056 1/20 0.32
NQO1 P15559 1/20 0.32
SLC6A4 P31645 2/20 0.32
RECQL P46063 1/20 0.31
FABP7 O15540 1/20 0.31
FABP3 P05413 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
SCHEMBL7206268 0.89 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPK14
SCHEMBL7212870 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10MAPK14HPGD
SCHEMBL5076995 0.76 MAPK14 (0.40) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL1449787 0.71 HTR1B (0.48) ALDH1A1MEN1RAB9AKMT2AKDM4E
SCHEMBL31556331 0.71 HTR1B (0.48) ALDH1A1MEN1RAB9AKMT2AKDM4E
SCHEMBL6024336 0.71 ALDH1A1 (0.47) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL13627003 0.70 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7207043 0.69 CYP2A6 (0.37) MAPTKDM4ELMNAMAPK1
SCHEMBL8956096 0.68 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL1604278 0.68 HTR1B (0.43) MAPTALDH1A1MEN1RAB9AKMT2A

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-6610891-B1 Reduces degradation or decomposition of catalyst MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-26 US claimed