SCHEMBL9653172

SCHEMBL9653172

CC(=O)Oc1cc(OC(C)=O)cc(C(=O)N=C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.38
ELANE P08246 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
BACE1 P56817 1/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ACHE P22303 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6997144 0.82 ELANE (0.53) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL11458225 0.79 TOP1 (0.50) MEN1KMT2AMAPTKDM4EHSD17B10
Cyanate SCHEMBL8557741 0.78 ELANE (0.45) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL8557745 0.77 ELANE (0.44) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL1789230 0.76
SCHEMBL2010436 0.76 LMNA (0.59) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL9652679 0.75 TSHR (0.60) MAPTKDM4ESMN1; SMN2PKMGAA
SCHEMBL414964 0.74 LMNA (0.50) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL16953510 0.74 LMNA (0.50) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL417129 0.72 HSD17B10 (0.57) LMNAMEN1KMT2AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189287-B1 NOVEL B-LACTAM ANTIBIOTICS NIPPON PHARMACEUTICAL DEVELOPMENT INSTITUTE COMPANY LIMITED (JP) 1992-12-16 EP disclosed
US-4808711-A EFFECTIVE AGAINST PSEUDOMONAS AERUGINOSA SANKEI PHARMACEUTICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0189287-A2 Novel B-lactam antibiotics NIPPON PHARMACEUTICAL DEVELOPMENT INSTITUTE COMPANY LIMITED (JP) 1986-07-30 EP disclosed