SCHEMBL19978666

SCHEMBL19978666

COCC(=O)NCCN1C(=O)CC(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SPR P35270 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL12590064 0.88 HTT (0.37) HTTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL16309339 0.84 MTNR1A (0.46) SMN1; SMN2LMNAL3MBTL1HDAC3HDAC4
SCHEMBL13950300 0.84 SMN1; SMN2 (0.40) HTTSMN1; SMN2HPGDALDH1A1
SCHEMBL13225533 0.84 SMN1; SMN2 (0.49) HTTSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL18471059 0.83 HDAC6 (0.34) HTTSMN1; SMN2HPGDLMNAL3MBTL1
SCHEMBL13226737 0.83 SMN1; SMN2 (0.41) HTTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL15934066 0.81 MTNR1A (0.41) HTTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL18557387 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL20330624 0.81 HPGD (0.36) HTTSMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL12590065 0.80 AKT1 (0.34) HTTSMN1; SMN2ALDH1A1KDM4ELMNA

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-20180080058-A1 NANOPATTERNED EXTRACELLULAR MATRICES ENABLE CELL-BASED ASSAYS WITH A MASS SPECTROMETRIC READOUT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-22 — — US disclosed
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