SCHEMBL1980404

SCHEMBL1980404

CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
FKBP1A P62942 4/20 0.50
WNT3 P56703 2/20 0.48
SFRP1 Q8N474 2/20 0.48
STS P08842 1/20 0.46
MAPK1 P28482 1/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
UCHL1 P09936 1/20 0.44
PIN1 Q13526 2/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL1986802 0.93 FKBP1A (0.48) HSD17B10MEN1KMT2AFKBP1AWNT3
SCHEMBL1979768 0.90 FKBP1A (0.52) MEN1KMT2AFKBP1APIN1F2
SCHEMBL1979169 0.90 FKBP1A (0.55) MEN1KMT2AFKBP1APIN1F2
SCHEMBL13938196 0.89 FKBP1A (0.49) FKBP1ASTSMAPK1PIN1F2
SCHEMBL13938176 0.86 STS (0.56) KMT2ASFRP1STSMAPK1
SCHEMBL1979688 0.86 STS (0.60) KMT2ASTSMAPK1
SCHEMBL13938201 0.84 FKBP1A (0.48) KMT2AFKBP1APIN1F2PRSS1
SCHEMBL3266040 0.81 STS (0.45) MEN1KMT2AFKBP1ASTSMAPK1
SCHEMBL1979225 0.81 USP30 (0.50) MEN1KMT2ASTSMAPK1
SCHEMBL13938199 0.80 KDM4E (0.50) MEN1KMT2ASTSMAPK1

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-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed