SCHEMBL2553790

SCHEMBL2553790

OB(O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
FFAR1 O14842 1/20 0.48
MAOB P27338 3/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.46
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 1/20 0.44
IDO1 P14902 1/20 0.44
ADAM17 P78536 1/20 0.43

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
SCHEMBL2555740 0.88 MRGPRX4 (0.60) ENPP2MRGPRX4MAOB
SCHEMBL23988 0.85 NR4A2 (0.58) ENPP2MAOBMAOA
SCHEMBL21408 0.84 NR4A2 (0.59) ENPP2MAOBNPC1RAB9ACYP2D6
SCHEMBL2558947 0.83 S1PR1 (0.51) ENPP2MRGPRX4FFAR1MAOBNPC1
SCHEMBL12420271 0.83 ENPP2 (0.54) ENPP2MAOB
SCHEMBL17236537 0.81 APP (0.53) ENPP2MAOBMAPTRAB9AALDH1A1
SCHEMBL15330536 0.81 NR4A2 (0.56) ENPP2MAOBNPC1RAB9ACYP2D6
SCHEMBL31051000 0.81 NR4A2 (0.56) ENPP2MAOBNPC1RAB9ACYP2D6
SCHEMBL2562164 0.80 ENPP2 (0.50) ENPP2NPC1RAB9AALDH1A1
SCHEMBL16687440 0.80 ENPP2 (0.56) ENPP2MAOB

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