SCHEMBL6682932

SCHEMBL6682932

CCCCCCCC(=O)OC1=CC(F)(c2ccccc2-c2cccc(OC(OCCCCC)[C@H](CC)OCCCCC)c2)CC=C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.35
POLK Q9UBT6 2/20 0.35
POLL Q9UGP5 2/20 0.35
POLH Q9Y253 2/20 0.35
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDK2 Q15119 2/20 0.33
FPR1 P21462 1/20 0.32
PTGS2 P35354 5/20 0.32
FAAH O00519 3/20 0.32
ESR1 P03372 2/20 0.32

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
SCHEMBL6656109 0.90 PDK2 (0.35) PDK2FAAH
SCHEMBL6682755 0.86 POLM (0.33) POLMPOLKPOLLPOLHKMT2A
SCHEMBL6656143 0.84 POLM (0.41) POLMPOLKPOLLPOLHKMT2A
SCHEMBL6662788 0.79 KMT2A (0.40) POLMPOLKPOLLPOLHKMT2A
SCHEMBL6680816 0.79 POLM (0.41) POLMPOLKPOLLPOLHKMT2A
SCHEMBL6657123 0.79 PDK2 (0.34) PDK2PTGS2FAAH
SCHEMBL6676834 0.77 KMT2A (0.35) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL6656879 0.74 PTPN11 (0.44) PDK2
SCHEMBL6657967 0.74 PTPN11 (0.44) PDK2
SCHEMBL9221533 0.72 PDK2 (0.44) SMN1; SMN2PDK2

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-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP claimed