SCHEMBL2557700

SCHEMBL2557700

C=C(Cl)COc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
FDPS P14324 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRIM24 O15164 1/20 0.42
HPGD P15428 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
TSHR P16473 1/20 0.42
PDCD1 Q15116 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
SCHEMBL15332187 0.91 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTL3MBTL1CYP1A2
SCHEMBL2563208 0.90 ALDH1A1 (0.70) ALDH1A1MAPK1MAPTL3MBTL1CYP1A2
SCHEMBL2554357 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1MAPTL3MBTL1CYP1A2
SCHEMBL15332160 0.82 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL2561250 0.82 FDPS (0.65) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL2559894 0.81 SRC (0.47) ALDH1A1MAPK1MAPTL3MBTL1CYP1A2
SCHEMBL2743926 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C19
SCHEMBL2744258 0.79 ALDH1A1 (0.59) ALDH1A1MAPK1MAPTL3MBTL1CYP1A2
SCHEMBL2557321 0.79 ALDH1A1 (0.81) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C19
SCHEMBL15330781 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTL3MBTL1CYP1A2

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