SCHEMBL2554083

SCHEMBL2554083

OB(O)c1ccc(COc2ccc(F)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.44
ENPP2 Q13822 4/20 0.43
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 3/20 0.43
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LIPE Q05469 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR5 Q9H228 1/20 0.40
CCR5 P51681 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
SCHEMBL2560162 0.85 ENPP2 (0.56) ENPP2FFAR1FFAR4SLC6A2SLC6A4
SCHEMBL16210297 0.85 MRGPRX4 (0.53) ENPP2FFAR4LIPEALDH1A1S1PR5
SCHEMBL2560722 0.84 ENPP2 (0.47) ENPP2LIPEL3MBTL1MEN1KMT2A
SCHEMBL29954345 0.81 LIPE (0.53) ENPP2LIPES1PR5
SCHEMBL212034 0.81 LIPE (0.53) ENPP2LIPES1PR5
SCHEMBL12260343 0.79 ENPP2 (0.63) ENPP2SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL5275479 0.79 SMN1; SMN2 (0.49) NR3C2FFAR1FFAR4HTR1ASLC6A2
SCHEMBL412514 0.78 MRGPRX4 (0.53) HTR1ALIPEL3MBTL1S1PR5
SCHEMBL30719648 0.78 MRGPRX4 (0.53) HTR1ALIPEL3MBTL1S1PR5
SCHEMBL2553585 0.78 LIPE (0.45) ENPP2HTR1ASLC6A2SLC6A4SLC6A3

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