SCHEMBL8501830

SCHEMBL8501830

NNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34.O=Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITPR1 Q14643 1/20 0.35
NPY1R P25929 1/20 0.32
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MTNR1A P48039 1/20 0.30
F10 P00742 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8501827 0.79 MEN1 (0.42) MEN1KMT2AITPR1NPY1RALDH1A1
SCHEMBL29369373 0.77 KMT2A (0.68) MEN1KMT2AITPR1NPY1RFAAH
SCHEMBL1714410 0.77 KMT2A (0.68) MEN1KMT2AITPR1NPY1RFAAH
SCHEMBL29367875 0.76 KMT2A (0.58) MEN1KMT2AITPR1NPY1RFAAH
SCHEMBL388103 0.76 KMT2A (0.58) MEN1KMT2AITPR1NPY1RFAAH
Methyl Alcohol SCHEMBL28963160 0.74 KMT2A (0.65) MEN1KMT2AITPR1NPY1RFAAH
SCHEMBL19328246 0.74 KMT2A (0.55) MEN1KMT2AITPR1NPY1RFAAH
SCHEMBL23824231 0.73 KMT2A (0.54) MEN1KMT2AITPR1NPY1RFAAH
SCHEMBL3491065 0.73 KMT2A (0.54) MEN1KMT2AITPR1NPY1RFAAH
SCHEMBL1804142 0.73 KMT2A (0.52) MEN1KMT2AITPR1FAAHALDH1A1

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-0938675-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL plc (GB) 1999-09-01 EP disclosed
WO-1998015829-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL PLC (GB) 1998-04-16 WO disclosed