SCHEMBL2553310

SCHEMBL2553310

Cc1ccc(OCC=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
S1PR4 O95977 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 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
SCHEMBL2551052 0.85 HTT (0.54) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL29863367 0.81 KDM4E (0.50) HPGDSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL11610637 0.81 MAPT (0.50) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL29863189 0.81 MRGPRX4 (0.47) HPGDKMT2AMEN1MRGPRX4LMNA
SCHEMBL10144037 0.81 KDM4E (0.50) HPGDSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL17723954 0.81 ACHE (0.59) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL5000471 0.81 KDM4E (0.48) HPGDSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL18715363 0.81 ACHE (0.59) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL8161827 0.81 SMN1; SMN2 (0.45) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL229755 0.80 KDM4E (0.55) L3MBTL1SMN1; SMN2KMT2AMAPK1MRGPRX4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP claimed
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-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
EP-2594626-B1 Use of oxyacetaldehyde as lily of the valley fragrance SYMRISE AG (DE) 2014-06-25 EP disclosed
EP-2594626-B1 Use of oxyacetaldehyde as lily of the valley fragrance SYMRISE AG (DE) 2014-06-25 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-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP disclosed
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed