SCHEMBL2556114

SCHEMBL2556114

CC(COc1ccc(C=O)cc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ ALDH1A3 P47895 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.46
▸ PARP3 Q9Y6F1 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ ADRA1D P25100 1/20 0.39

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
SCHEMBL11780675 0.83 ALDH1A1 (0.50) ALDH1A1ALDH1A3LMNAMAPTHPGD
SCHEMBL2559864 0.82 MAOA (0.49) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL27995838 0.81 ALDH1A1 (0.46) ALDH1A1ALDH1A3PARP10PARP3LMNA
SCHEMBL27995836 0.81 ALDH1A1 (0.46) ALDH1A1ALDH1A3PARP10PARP3LMNA
SCHEMBL11485968 0.81 ALDH1A1 (0.46) ALDH1A1ALDH1A3LMNAMAPTHPGD
SCHEMBL4599078 0.80 CYP1A2 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6809829 0.80 LMNA (0.58) PARP10LMNAADRB2ADRB1
SCHEMBL10612565 0.80 LMNA (0.58) PARP10LMNAADRB2ADRB1
SCHEMBL3595449 0.80 LMNA (0.58) ALDH1A1ALDH1A3LMNAMAPTHPGD
SCHEMBL1931817 0.80 LMNA (0.58) ALDH1A1ALDH1A3LMNAMAPTHPGD

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
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