SCHEMBL2554736

SCHEMBL2554736

COc1cccc(C=O)c1OCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.62
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SRC P12931 1/20 0.56
ACMSD Q8TDX5 2/20 0.54
TLR2 O60603 1/20 0.53
ERN1 O75460 1/20 0.53
TLR1 Q15399 1/20 0.53
TLR6 Q9Y2C9 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 3/20 0.50
NFE2L2 Q16236 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
CD69 Q07108 2/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL15330537 0.87 SRC (0.55) PTGDR2POLBSMN1; SMN2SRCACMSD
SCHEMBL9248575 0.87 PTGDR2 (0.60) PTGDR2POLBSMN1; SMN2SRCACMSD
SCHEMBL6744642 0.85 SMN1; SMN2 (0.70) POLBSMN1; SMN2ACMSDKMT2ACA1
SCHEMBL20068208 0.85 TLR2 (0.57) PTGDR2POLBSMN1; SMN2SRCACMSD
SCHEMBL20150988 0.84 SRC (0.56) PTGDR2POLBSRCTLR2ERN1
SCHEMBL2555240 0.84 SRC (0.56) PTGDR2POLBSMN1; SMN2SRCTLR2
SCHEMBL9016495 0.84 POLB (0.53) PTGDR2POLBSMN1; SMN2ACMSDKMT2A
SCHEMBL9016511 0.84 POLB (0.53) PTGDR2POLBSMN1; SMN2ACMSDKMT2A
SCHEMBL74619 0.83 ALDH1A1 (0.65) POLBSMN1; SMN2SRCTLR2ERN1
SCHEMBL2556100 0.82 SRC (0.54) PTGDR2POLBSMN1; SMN2SRCACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-5574153-A BACTERICIDES ACS DOBFAR S.P.A. (IT) 1996-11-12 US disclosed
EP-0638574-A1 Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR S.p.A. (IT) 1995-02-15 EP disclosed