SCHEMBL2556775

SCHEMBL2556775

C=C(Cl)COc1c(C=O)cccc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
SRC P12931 1/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ERN1 O75460 2/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL2557069 0.87 SRC (0.54) PTGDR2SRCALDH1A1SMN1; SMN2HPGD
SCHEMBL2561372 0.86 LMNA (0.41) PTGDR2SRCALDH1A1SMN1; SMN2HPGD
SCHEMBL181586 0.83 ALDH1A1 (0.50) PTGDR2SRCALDH1A1SMN1; SMN2HPGD
SCHEMBL29922833 0.83 ALDH1A1 (0.50) PTGDR2SRCALDH1A1SMN1; SMN2HPGD
SCHEMBL9248575 0.83 PTGDR2 (0.60) PTGDR2SRCALDH1A1SMN1; SMN2HPGD
SCHEMBL15332645 0.82 ALDH1A1 (0.53) PTGDR2SRCALDH1A1SMN1; SMN2HPGD
SCHEMBL20150682 0.81 ALDH1A1 (0.49) PTGDR2SRCALDH1A1L3MBTL1ERN1
SCHEMBL20068038 0.81 ALDH1A1 (0.56) PTGDR2ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL2556276 0.80 ALDH1A1 (0.44) PTGDR2SRCALDH1A1SMN1; SMN2HPGD
SCHEMBL2553617 0.78 ALDH1A1 (0.47) PTGDR2SRCALDH1A1SMN1; SMN2HPGD

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 7 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