SCHEMBL4777117

SCHEMBL4777117

C=C/C=C/C(=O)OC1CCCCC1OC(=O)/C=C/C=C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
SERPINE1 P05121 2/20 0.33
EDNRA P25101 3/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4777121 1.00 ATM (0.35) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL28117203 0.86 ATM (0.30) ATM
SCHEMBL28047809 0.82 EPHX1 (0.40)
SCHEMBL28449928 0.80 ATM (0.30) ATM
SCHEMBL10750894 0.79 SERPINE1 (0.37) ATMSERPINE1
SCHEMBL3188398 0.78 EDNRA (0.46) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL3188408 0.78 EDNRA (0.46) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL4781594 0.75 ATM (0.37) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL4781593 0.75 ATM (0.37) ATMSERPINE1EDNRAMEN1KMT2A
SCHEMBL5854242 0.74 ATM (0.35) ATMSERPINE1MEN1KMT2A

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
US-8420853-B2 Derivatives of cyclic compound and the use thereof Wonkisopharm Co., Ltd (KR) 2013-04-16 US disclosed
WO-2008004788-A1 NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF WONKISOPHARM CO., LTD. (KR) 2008-01-10 WO disclosed