SCHEMBL15318853

SCHEMBL15318853

CCCCC=CC(C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
FAAH O00519 3/20 0.46
SOAT1 P35610 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CNR1 P21554 1/20 0.43
KDM4E B2RXH2 2/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
ASAH2 Q9NR71 1/20 0.41
MAPT P10636 3/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 2/20 0.40
CETP P11597 2/20 0.40

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
SCHEMBL15318852 1.00 MEN1 (0.46) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL28588566 0.82 F7 (0.47) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL3270488 0.82 F7 (0.47) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL23829594 0.82 CYP3A4 (0.43) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL1771481 0.82 F7 (0.47) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL23829593 0.82 CYP3A4 (0.43) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL28718806 0.81 CYP1A2 (0.43) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL29050792 0.80 F7 (0.46) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL28714907 0.79 CA1 (0.44) MEN1KMT2AFAAHSOAT1TP53
SCHEMBL10584843 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023206580-A1 DURLOBACTAM CRYSTALLINE FORMS ENTASIS THERAPEUTICS LIMITED (GB) 2023-11-02 WO disclosed
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 CN disclosed
CN-109715630-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-02-22 CN disclosed
EP-3512851-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS Entasis Therapeutics Limited (GB) 2019-07-24 EP disclosed
WO-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 WO disclosed
EP-2834239-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS Astrazeneca AB (SE) 2015-02-11 EP disclosed
WO-2013150296-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ASTRAZENECA AB (SE) 2013-10-10 WO disclosed