SCHEMBL8040741

SCHEMBL8040741

Cc1ccc(-c2ccccc2OP(Oc2ccccc2-c2ccc(C)cc2)Oc2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PTGS2 P35354 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37

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
SCHEMBL8040823 0.98 SYK (0.49) SYKLMNAL3MBTL1MAPK1TDP1
SCHEMBL9418893 0.87 LMNA (0.47) SYKLMNAL3MBTL1MAPK1TDP1
SCHEMBL3874497 0.86 SYK (0.46) SYKLMNAL3MBTL1MAPK1TDP1
SCHEMBL8040839 0.85 SYK (0.45) SYKLMNAL3MBTL1MAPK1TDP1
SCHEMBL8040829 0.85 SYK (0.45) SYKLMNAL3MBTL1MAPK1TDP1
SCHEMBL674709 0.85 MAPK1 (0.47) LMNAL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11499533 0.83 SYK (0.53) SYKLMNAL3MBTL1MAPK1TDP1
SCHEMBL3802449 0.81 TSHR (0.39) SYKLMNAL3MBTL1ALDH1A1MEN1
SCHEMBL4425113 0.81 SYK (0.56) SYKLMNAL3MBTL1MAPK1TDP1
SCHEMBL26509862 0.79 SYK (0.50) SYKLMNAL3MBTL1MAPK1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438638-B1 Process for producing norcamphane dicarbonitriles MITSUI CHEMICALS INC (JP) 2000-07-05 EP disclosed
US-5087722-A Catalytic hydrocyanation of bicyclo(2.2.1)-5-heptene-2-carbonitrile MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-11 US disclosed
EP-0438638-A1 Process for producing norcamphane dicarbonitriles MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-31 EP disclosed