SCHEMBL9828429

SCHEMBL9828429

O=C(O)Oc1ccc2c(c1)OC=CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 3/20 0.38
GAA P10253 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 4/20 0.37
MAPT P10636 2/20 0.37
FLT3 P36888 1/20 0.37
MAPK1 P28482 1/20 0.37
ELANE P08246 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7030084 0.82 LMNA (0.42) CA2CA5AKDM4EPOLBGAA
SCHEMBL7143494 0.78 CA2 (0.40) CA2CA5AKDM4EPOLBGAA
SCHEMBL9837136 0.78 KDM4E (0.34) CA2CA5AKDM4EPOLBGAA
SCHEMBL2900297 0.77 LMNA (0.60) KDM4EPOLBGAATDP1LMNA
SCHEMBL4340762 0.77 TSHR (0.59) KDM4EPOLBGAALMNAMAPT
SCHEMBL2468681 0.76 CA12 (0.41) CA2CA5AKDM4EPOLBGAA
SCHEMBL4338296 0.74 MRGPRX4 (0.52) CA2CA5AKDM4ELMNAMAPT
SCHEMBL809274 0.73 KMT2A (0.55) KDM4EPOLBGAACA12CA9
SCHEMBL465132 0.72 LMNA (0.52) POLBGAATDP1LMNAMAPT
SCHEMBL9202118 0.71 LMNA (0.45) CA2CA5APOLBGAALMNA

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-0197294-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1991-04-03 EP disclosed
EP-0197294-A2 Beta-lactam antibiotics, process for their preparation and their use as medicaments BAYER AG (DE) 1986-10-15 EP disclosed