SCHEMBL14279172

SCHEMBL14279172

O=C(NC(CCS)C(=O)NCCOCCO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTSL P07711 5/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSK P43235 3/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM1A O60341 4/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 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
SCHEMBL14279162 0.79 L3MBTL1 (0.53) SMN1; SMN2GRIN1GRIN2AL3MBTL1CTSL
SCHEMBL3499586 0.77 SMN1; SMN2 (0.83) SMN1; SMN2KMT2AHDAC3HDAC4HDAC1
SCHEMBL14279166 0.77 KDM1A (0.56) CTSLCTSSCTSKKMT2AKDM1A
SCHEMBL14279160 0.77 NAAA (0.60) GRIN1GRIN2AL3MBTL1KMT2AHDAC3
SCHEMBL2330371 0.74 CTRB1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2330374 0.74 CTRB1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2330376 0.74 CTRB1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14279170 0.74 ADAMTS5 (0.46) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL26740239 0.73 GLP1R (0.42) SMN1; SMN2
SCHEMBL14279165 0.72 HPGD (0.51) SMN1; SMN2L3MBTL1KMT2ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320755-B2 Method of preparing ligands for hydrophobic interaction chromatography GE HEALTHCARE BIO-SCIENCES AB (SE) 2008-01-22 — — US disclosed
US-7320755-B2 Method of preparing ligands for hydrophobic interaction chromatography GE HEALTHCARE BIO-SCIENCES AB (SE) 2008-01-22 — — US disclosed
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