SCHEMBL27609031

SCHEMBL27609031

O=C(O)c1cc2cc(-c3cc[c]cc3)ccc2cc1O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.55
LCK P06239 2/20 0.49
MCL1 Q07820 4/20 0.49
HNF4A P41235 2/20 0.49
DHFR P00374 1/20 0.49
GRIN2D O15399 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
MEN1 O00255 2/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
NR2E1 Q9Y466 1/20 0.42
APP P05067 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL569383 0.87 ACMSD (0.68) ACMSDLCKMCL1HNF4ADHFR
SCHEMBL1250065 0.85 ACMSD (0.57) ACMSDLCKMCL1HNF4ADHFR
SCHEMBL1250945 0.84 ACMSD (0.68) ACMSDLCKMCL1HNF4ADHFR
SCHEMBL1250277 0.84 MCL1 (0.68) ACMSDLCKMCL1HNF4ADHFR
SCHEMBL1510280 0.83 ACMSD (0.70) ACMSDLCKMCL1HNF4ADHFR
SCHEMBL1249257 0.81 SMN1; SMN2 (0.53) ACMSDLCKMCL1MEN1KMT2A
SCHEMBL1249395 0.81 ACMSD (0.53) ACMSDLCKMCL1HNF4ADHFR
SCHEMBL1247843 0.81 ACMSD (0.53) ACMSDLCKMCL1HNF4ADHFR
SCHEMBL9067649 0.78 GRIN2D (0.46) ACMSDGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6692918 0.77 MEN1 (0.50) ACMSDLCKMCL1HNF4ADHFR

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
CN-1558762-A Novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer ŵ��Ų�ڿ˹�˾ 2004-12-29 CN disclosed