SCHEMBL6689346

SCHEMBL6689346

CCCCCC(=O)OOc1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.40
PPARG P37231 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLM Q9NP87 1/20 0.40
POLK Q9UBT6 1/20 0.40
POLL Q9UGP5 1/20 0.40
POLH Q9Y253 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11111242 0.81 KDM4E (0.60) ALDH1A1TSHRHPGDKDM4EMEN1
SCHEMBL18261164 0.80 KMT2A (0.57) KDM4EMEN1RECQLKMT2ASMN1; SMN2
SCHEMBL16149020 0.80 MEN1 (0.47) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL8355648 0.78 P2RX7 (0.47) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL18261165 0.78 KMT2A (0.56) KDM4EMEN1RECQLKMT2ASMN1; SMN2
SCHEMBL8351886 0.78 PPARG (0.48) KDM4EMEN1RECQLKMT2ASMN1; SMN2
SCHEMBL8817955 0.77 SMN1; SMN2 (0.42) ALDH1A1TSHRHPGDKDM4EMEN1
SCHEMBL19717844 0.76 MEN1 (0.65) ALDH1A1TSHRHPGDKDM4EMEN1
SCHEMBL5970515 0.76 SMN1; SMN2 (0.47) ALDH1A1TSHRHPGDKDM4ENPC1
SCHEMBL8353141 0.75 CNR1 (0.47) ALDH1A1TSHRHPGDKDM4EKMT2A

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-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed