SCHEMBL15219213

SCHEMBL15219213

C=C(C)C(=O)Oc1cc(C)c2c(c1C)COC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
PIM1 P11309 1/20 0.44
SRC P12931 1/20 0.44
AXL P30530 1/20 0.44
AKT1 P31749 1/20 0.44
KDR P35968 1/20 0.44
NEK2 P51955 1/20 0.44
PLK1 P53350 1/20 0.44
PTK2 Q05397 1/20 0.44
PKN1 Q16512 1/20 0.44
AURKB Q96GD4 1/20 0.44
NEK6 Q9HC98 1/20 0.44
ALK Q9UM73 1/20 0.44
IMPDH2 P12268 17/20 0.38
IMPDH1 P20839 8/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL18401054 0.75 NUAK1 (0.34) NUAK1IGF1RMETPIM1SRC
SCHEMBL75296 0.71 KDM4E (0.44) IMPDH2KDM4EALDH1A1LMNACYP1A2
SCHEMBL17842623 0.71 POLB (0.42) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL14001892 0.70 KMT2A (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL17708233 0.70 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL15388582 0.68 POLB (0.41) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL27986276 0.67 ELANE (0.40) KDM4EALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL38661155 0.67 NUAK1 (0.54) NUAK1IGF1RMETPIM1SRC
SCHEMBL14173274 0.66 ELANE (0.39) SRCKDM4EALDH1A1CYP1A2HPGD
SCHEMBL18676807 0.65 HTT (0.31) IMPDH2KDM4EALDH1A1MAPTNPSR1

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-2463714-B1 Basic compound, chemically amplified resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-28 EP disclosed