SCHEMBL2563648

SCHEMBL2563648

O=Cc1ccc(OCCSCC(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G4B P0C869 7/20 0.45
PPARA Q07869 1/20 0.43
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.41
SERPINE1 P05121 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALB P02768 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
SCHEMBL15332395 0.92 PLA2G4B (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL3266534 0.82 PKM (0.57) ALDH1A1SMN1; SMN2HPGDPLA2G4BPKM
SCHEMBL5637944 0.81 HDAC3 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAPLA2G4B
SCHEMBL2562113 0.78 L3MBTL1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL5641476 0.77 HDAC1 (0.48) ALDH1A1PLA2G4BPPARAPKMHDAC1
SCHEMBL1250574 0.77 PPARA (0.64) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2558640 0.76 FDPS (0.65) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2561110 0.76 PPARA (0.71) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL851166 0.75 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL23421279 0.75 SRC (0.42) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A

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