SCHEMBL9708902

SCHEMBL9708902

O=C(ON1C(=O)CCC1=O)c1ccc(C(=O)ON2C(=O)CCC2=O)c(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.36
PARL Q9H300 2/20 0.34
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
GLA P06280 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX12 P18054 1/20 0.31
FAAH O00519 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
SCHEMBL14560883 0.81 ERN1 (0.42) MGLLKMT2APOLBSMN1; SMN2CA1
SCHEMBL8540066 0.80 TSHR (0.50) PARLSMN1; SMN2MAPTCA12CA1
SCHEMBL12756281 0.79 MAPK1 (0.35) MGLLPARLKMT2APOLBSMN1; SMN2
SCHEMBL24172856 0.79 HPGD (0.40) KMT2ASMN1; SMN2MAPTCA12CA1
SCHEMBL15344512 0.78 CA12 (0.33) SMN1; SMN2MAPTCA12CA1CA9
SCHEMBL300884 0.78 CA12 (0.42) MGLLPARLKMT2ASMN1; SMN2MAPT
SCHEMBL1655594 0.78 MGLL (0.33) MGLLPARL
SCHEMBL12260739 0.77 GPR35 (0.47) KMT2ASMN1; SMN2MAPT
SCHEMBL5303474 0.77 ALDH1A1 (0.48) MGLLPARLKMT2APOLBSMN1; SMN2
SCHEMBL15341609 0.76 CA12 (0.32) CA12CA1CA9

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
WO-1992011039-A1 DERIVATIZED TRIS-CATECHOL CHELATING AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-07-09 WO disclosed