SCHEMBL2553879

SCHEMBL2553879

O=C(O)CCCCn1ccc2cc(B(O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
KMO O15229 1/20 0.44
FFAR4 Q5NUL3 1/20 0.41
OXER1 Q8TDS5 1/20 0.41
ACLY P53396 2/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
MCL1 Q07820 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
TERT O14746 1/20 0.40

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
SCHEMBL38660989 1.00 PLG (0.45) PLGPLAUALOX5EPHX2KMO
SCHEMBL10593438 0.80 KMO (0.62) PLGPLAUALOX5EPHX2KMO
SCHEMBL27587769 0.77 ALOX5 (0.50) PLGPLAUALOX5EPHX2KMO
SCHEMBL1269116 0.77 CDK4 (0.71) CDK4CCND1TERT
SCHEMBL16741913 0.77 NOS3 (0.48) PLGPLAU
SCHEMBL7921048 0.76 KRAS (0.47) PLGPLAUALOX5EPHX2KMO
SCHEMBL5487411 0.76 P2RX7 (0.54) PLGPLAUALOX5EPHX2KMO
SCHEMBL416378 0.76 ALOX5 (0.49) PLGPLAUALOX5EPHX2KMO
SCHEMBL416786 0.76 KMO (0.65) ALOX5EPHX2KMOFFAR4OXER1
SCHEMBL418370 0.76 P2RX7 (0.50) PLGPLAUALOX5EPHX2KMO

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