SCHEMBL8537154

SCHEMBL8537154

O=C(Nc1c(O)c(CC2CCCC2)c(-c2ccc(OCc3cccnc3)cc2)oc1=O)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.49
JAK1 P23458 3/20 0.41
GPR132 Q9UNW8 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 3/20 0.36
CHRM4 P08173 1/20 0.36
RAB9A P51151 1/20 0.36
JAK3 P52333 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ABL1 P00519 2/20 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
SCHEMBL8534849 0.73 GPR132 (0.38) GPR132
SCHEMBL7369214 0.69 TP53 (0.40) TYK2GPR132KMT2A
SCHEMBL8535930 0.67 VCP (0.39) GPR132GPR119
SCHEMBL2240663 0.66 TYK2 (1.00) TYK2JAK1JAK2JAK3
SCHEMBL7371304 0.64 PRKDC (0.39) TYK2GPR132ADAMTS4GPR119
SCHEMBL13731309 0.64 TYK2 (0.57) TYK2JAK1GSK3BJAK2JAK3
SCHEMBL13535430 0.63 JAK1 (0.71) TYK2JAK1JAK2JAK3
SCHEMBL7457650 0.62 GPR132 (0.40) GPR132KMT2A
SCHEMBL28048524 0.62 MAPK1 (0.64) GPR132MEN1KMT2ARAB9A
SCHEMBL8540378 0.62 ACHE (0.48) ADAMTS4

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed