SCHEMBL8611413

SCHEMBL8611413

COc1ccc(C=CC(=O)OCC=Cc2ccc(CC=Cc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PTGER4 P35408 1/20 0.53
PTGER3 P43115 1/20 0.53
PTGER2 P43116 1/20 0.53
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOB P27338 2/20 0.50
HSPD1 P10809 1/20 0.50
TNFRSF1A P19438 1/20 0.50
HSPE1 P61604 1/20 0.50
CYP1B1 Q16678 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL28436536 0.93 MEN1 (0.66) MEN1KMT2APTGER4PTGER3PTGER2
SCHEMBL28436540 0.93 MEN1 (0.66) MEN1KMT2APTGER4PTGER3PTGER2
SCHEMBL15105021 0.82 TRPA1 (0.63) MEN1KMT2APTGER4PTGER3PTGER2
SCHEMBL3869325 0.82 TRPA1 (0.63) MEN1KMT2APTGER4PTGER3PTGER2
SCHEMBL827239 0.82 LMNA (0.65) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL112366 0.82 LMNA (0.65) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL112365 0.82 LMNA (0.65) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL14764012 0.82 LMNA (0.65) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1532460 0.82 LMNA (0.65) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL16689985 0.81 LMNA (0.75) MEN1KMT2ALMNATDP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833812-A1 CHEMICAL COMPOUNDS AND METHODS OF PRODUCTION THEREOF ZYLEPSIS LIMITED (GB) 1998-04-08 EP disclosed
WO-1997000851-A1 CHEMICAL COMPOUNDS AND METHODS OF PRODUCTION THEREOF ZYLEPSIS LIMITED (GB) 1997-01-09 WO disclosed