SCHEMBL9162803

SCHEMBL9162803

NC(=O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)N1CCOCCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3736508 0.87 MMP1 (0.44) SMN1; SMN2MMP1MMP3MMP8PKM
SCHEMBL14602765 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MMP1MMP3MMP8PKM
SCHEMBL6019241 0.79 DPP7 (0.42) MMP1MMP3MMP8ALDH1A1L3MBTL1
SCHEMBL15405711 0.78 DPP7 (0.41) MMP1MMP3MMP8ALDH1A1L3MBTL1
SCHEMBL3068967 0.77 MMP1 (0.45) SMN1; SMN2MMP1MMP3MMP8PKM
SCHEMBL3062998 0.77 MMP1 (0.45) SMN1; SMN2MMP1MMP3MMP8PKM
SCHEMBL3065969 0.77 MMP1 (0.45) SMN1; SMN2MMP1MMP3MMP8PKM
SCHEMBL17859607 0.74 PDE4A (0.46) SMN1; SMN2MMP1MMP3MMP8GAA
SCHEMBL5486914 0.73 SMN1; SMN2 (0.48) SMN1; SMN2MMP1MMP3MMP8PKM
SCHEMBL824919 0.73 SMN1; SMN2 (0.48) SMN1; SMN2MMP1MMP3MMP8PKM

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
EP-0526502-B1 PHENOLIC AMINE DEPIGMENTING AND ANTIMELANOMA AGENTS UNIV ALBERTA (CA) 1995-02-22 EP claimed
US-5434233-A Polyaldaramide polymers useful for films and adhesives KIELY DONALD E (US) 1995-07-18 US disclosed