SCHEMBL6180763

SCHEMBL6180763

COC(=O)Oc1c(C(F)(F)F)[nH]c2c(O)cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)c(CCCl)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
P4HB P07237 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5732709 0.88 LMNA (0.40) LMNAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL6179116 0.88 LMNA (0.45) LMNAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL5734217 0.80 ALDH1A1 (0.48) LMNAKDM4EALDH1A1HPGDCYP3A4
SCHEMBL5734528 0.80 LMNA (0.43) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL5733054 0.77 LMNA (0.47) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL21943619 0.76 ALDH1A1 (0.46) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL14234930 0.73 LMNA (0.42) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL5735475 0.72 LMNA (0.49) LMNAKDM4EALDH1A1HPGDPOLB
Centanamycin SCHEMBL29441389 0.71 LMNA (0.46) LMNAKDM4EALDH1A1HPGDPOLB
Centanamycin SCHEMBL5733476 0.71 LMNA (0.46) LMNAKDM4EALDH1A1HPGDPOLB

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
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP claimed