SCHEMBL11830979

SCHEMBL11830979

CCCN(CC(C)OC(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36

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
SCHEMBL11828894 0.92 CNR2 (0.43) NPSR1CNR2TP53SCN1ASCN2A
SCHEMBL11826491 0.88 SCN1A (0.44) CNR2TP53SCN1ASCN2ASCN3A
SCHEMBL11821132 0.78 ALDH1A1 (0.42) L3MBTL1TP53SCN1ASCN2ASCN3A
SCHEMBL8959599 0.76 TSHR (0.42) NPSR1L3MBTL1CNR2TP53SMN1; SMN2
SCHEMBL11833911 0.75 SCN1A (0.43) L3MBTL1CNR2SCN1ASCN2ASCN3A
SCHEMBL11308264 0.74 KMT2A (0.46) NPSR1CNR2TP53ALDH1A1LMNA
SCHEMBL11835672 0.73 GFER (0.41) NPSR1ALDH1A1LMNASMN1; SMN2
Acetic Acid SCHEMBL7529892 0.73 CNR2 (0.47) NPSR1L3MBTL1CNR2TP53ALDH1A1
SCHEMBL10937682 0.72 ALDH1A1 (0.56) L3MBTL1CNR2ALDH1A1LMNASMN1; SMN2
SCHEMBL11671830 0.72 CNR2 (0.41) NPSR1L3MBTL1CNR2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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