SCHEMBL4375180

SCHEMBL4375180

COC(=O)CCC(CCC(=O)OC)c1cccc2c1c1cc(OCF)ccc1n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
MTNR1A P48039 6/20 0.36
MTNR1B P49286 5/20 0.36
HTR2C P28335 3/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL4055280 0.76 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4052668 0.72 MAPT (0.43) MAPTHPGDKDM4EALDH1A1MEN1
SCHEMBL4373655 0.69 MEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15466592 0.59 MAPT (0.68) MAPTHPGDPOLBSMN1; SMN2KDM4E
SCHEMBL8086565 0.58 L3MBTL1 (0.56) MAPTHPGDKDM4EALDH1A1MEN1
SCHEMBL8648192 0.58 AKR1C3 (0.68) TSHRMTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL1004258 0.58 FABP4 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31367787 0.58 FABP4 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3328651 0.58 MTNR1A (0.79) MTNR1AMTNR1BHTR2C
SCHEMBL16673287 0.57 PPARG (0.52) POLBKDM4EHTTKMT2AL3MBTL1

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
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed