SCHEMBL9854713

SCHEMBL9854713

CC(=O)n1ccc2c(C=O)cccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.61
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.41
IMPDH2 P12268 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 3/20 0.38
RAB9A P51151 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL28910812 0.85 NOTUM (0.59) NOTUMKMT2AMEN1ALDH1A1GAA
SCHEMBL20905239 0.81 NOTUM (0.40) NOTUMALDH1A1IMPDH2
SCHEMBL31668328 0.80 L3MBTL1 (0.55) NOTUMKMT2AALDH1A1IMPDH2POLB
SCHEMBL8685355 0.80 L3MBTL1 (0.55) NOTUMKMT2AALDH1A1IMPDH2POLB
SCHEMBL1760744 0.79 MEN1 (0.43) NOTUMKMT2AMEN1ALDH1A1IMPDH2
SCHEMBL870631 0.78 KMT2A (0.59) KMT2AMEN1ALDH1A1IMPDH2GAA
SCHEMBL11573644 0.77 NOTUM (0.67) NOTUMALDH1A1POLBOPRM1OPRL1
SCHEMBL856105 0.77 BCHE (0.40) NOTUMKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15558730 0.77 NOTUM (0.50) NOTUMKMT2AMEN1ALDH1A1GAA
SCHEMBL15558727 0.77 NOTUM (0.50) NOTUMKMT2AMEN1ALDH1A1GAA

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
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed