SCHEMBL4413580

SCHEMBL4413580

COC(=O)C(C)c1cccc(I)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.60
PTGS2 P35354 3/20 0.60
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
MT-CO2 P00403 1/20 0.46
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7004680 0.83 SLC6A3 (0.51) PTGS1PTGS2SLC6A3KMT2AMEN1
SCHEMBL30967863 0.83 SLC6A3 (0.51) PTGS1PTGS2SLC6A3KMT2AMEN1
SCHEMBL27280857 0.82 APP (0.47) PTGS1PTGS2SLC6A3KMT2AHPGD
SCHEMBL30840274 0.82 APP (0.47) PTGS1PTGS2SLC6A3KMT2AHPGD
SCHEMBL343223 0.82 HPGD (0.50) PTGS1PTGS2SLC6A3KMT2AHPGD
SCHEMBL5544986 0.81 KMT2A (0.67) PTGS1PTGS2KMT2AHPGDMEN1
SCHEMBL183940 0.81 KMT2A (0.67) PTGS1PTGS2KMT2AHPGDMEN1
SCHEMBL5537242 0.81 KMT2A (0.67) PTGS1PTGS2KMT2AHPGDMEN1
SCHEMBL1653533 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AHPGDMT-CO2
SCHEMBL29484096 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AHPGDMT-CO2

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
US-20090231240-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE FUJI XEROX CO., LTD. (JP) 2009-09-17 US disclosed