SCHEMBL2559404

SCHEMBL2559404

CCc1cccc(OCC=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL14241526 0.82 MAOB (0.42) KDM4ECHRM2CHRM1CHRM3MAOA
SCHEMBL12482566 0.82 NOS1 (0.48) CHRM2CHRM1CHRM3MAOAMAOB
SCHEMBL20482022 0.82 KDM4E (0.49) SOD1KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL29952223 0.82 TSHR (0.53) KDM4ESMN1; SMN2TSHRPOLBCHRM2
SCHEMBL6002993 0.79 SOD1 (0.55) SOD1KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL19085125 0.79 IDO1 (0.57) MAOAMAOB
SCHEMBL1246024 0.79 CYP4F2 (0.61) KDM4ESMN1; SMN2TSHRTDP1POLB
SCHEMBL15295402 0.79 ALDH1A1 (0.65) SOD1KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL131598 0.79 TP53 (0.59) SOD1KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL31061915 0.79 TP53 (0.59) SOD1KDM4EALDH1A1SMN1; SMN2MAPK1

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