SCHEMBL13466142

SCHEMBL13466142

CCN(CC)c1ccc2ccccc2c1/C(=C/C(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12425988 0.77 KMT2A (0.38) PLK1SIGMAR1KMT2AMEN1NPC1
SCHEMBL13465631 0.75 CXCR5 (0.50) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL13465633 0.75 IDO1 (0.32) ALDH1A1KDM4EIDO1ELANECXCR5
SCHEMBL12427178 0.75 MEN1 (0.49) PLK1KMT2AMEN1NPC1CYP1A2
SCHEMBL14089567 0.75 ALDH1A1 (0.37) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL13466588 0.71 SLC22A12 (0.43) CYP2D6MAPTALDH1A1KDM4EGAA
SCHEMBL5535163 0.71 PTPN1 (0.47) PLK1SIGMAR1KMT2AMEN1NPC1
SCHEMBL10904256 0.71 PTPN22 (0.48) SIGMAR1MAPTKDM4ETDP1
SCHEMBL8584659 0.69 CYP2A6 (0.41) PLK1SIGMAR1KMT2AMEN1NPC1
SCHEMBL2203473 0.67 NPC1 (0.48) PLK1SIGMAR1KMT2AMEN1NPC1

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-1964861-B1 ACETYLENE-BASED POLYMER NAT INST OF ADVANCED IND SCIEN (JP) 2012-10-17 — — EP disclosed
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