SCHEMBL10987016

SCHEMBL10987016

CCOOP(=O)(O)C(F)(OCC)C(=O)OCC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7122560 0.80 ALDH1A1 (0.35) LMNAKDM4EPKMMEN1KMT2A
SCHEMBL7122559 0.78 ALDH1A1 (0.34) LMNAKDM4EPKMMEN1KMT2A
SCHEMBL543816 0.75 CYP4F2 (0.35) SMN1; SMN2LMNAKDM4EPKMMEN1
SCHEMBL4284951 0.69
SCHEMBL10590584 0.67 PPARD (0.35) LMNAKDM4EPKMMEN1KMT2A
SCHEMBL27603424 0.67 MEN1 (0.44) SMN1; SMN2LMNAKDM4EPKMMEN1
SCHEMBL7829298 0.66 ALDH1A1 (0.37) LMNAKDM4EPKMMEN1KMT2A
SCHEMBL16658461 0.66 CYP4F2 (0.39) SMN1; SMN2LMNAKDM4EPKMMEN1
SCHEMBL4284948 0.66
SCHEMBL9283162 0.65 PKM (0.39) LMNAKDM4EPKMMEN1KMT2A

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-4536592-A ANTISECRETORY AGENT G. D. SEARLE & CO. (US) 1985-08-20 US disclosed