SCHEMBL6689370

SCHEMBL6689370

CC(=O)Oc1ccc2c(c1)CC(c1ccccc1)(c1ccccc1F)C=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
ELANE P08246 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 1/20 0.33
CA2 P00918 2/20 0.33
CA5A P35218 2/20 0.33
GAA P10253 2/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PTPN1 P18031 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 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
SCHEMBL8310687 0.89 MAPT (0.41) MAPTALDH1A1SMN1; SMN2MAPK1ELANE
SCHEMBL8310120 0.79 ELANE (0.43) MAPTALDH1A1SMN1; SMN2MAPK1ELANE
SCHEMBL6689781 0.76 OPRM1 (0.32)
SCHEMBL8313929 0.71 MAPT (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6689248 0.70 HDAC9 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL5072171 0.67
SCHEMBL9546931 0.67 MAOA (0.36) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29359986 0.64 CA2 (0.46) MAPTALDH1A1SMN1; SMN2MAPK1ELANE
SCHEMBL926822 0.64 CA2 (0.46) MAPTALDH1A1SMN1; SMN2MAPK1ELANE
SCHEMBL8853861 0.64 PTGS2 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1LMNA

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-2004085568-A2 PHOTOCHROMIC ARTICLES WITH REDUCED TEMPERATURE DEPENDENCY AND METHODS FOR PREPARATION TRANSITIONS OPTICAL, INC. (US) 2004-10-07 WO disclosed