SCHEMBL8939743

SCHEMBL8939743

[c]1cccc(OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LIPE Q05469 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR1A P08908 6/20 0.46
DRD2 P14416 1/20 0.46
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
ALPG P10696 1/20 0.42
PTK2B Q14289 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41

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
SCHEMBL8339251 0.85 MAPT (0.51) MAPTL3MBTL1LIPEMAPK1TDP1
SCHEMBL8939785 0.85 HTR1A (0.42) MAPTL3MBTL1LIPEMAPK1HTR1A
SCHEMBL28166152 0.81 LIPE (0.44) MAPTL3MBTL1LIPEMAPK1TDP1
SCHEMBL8939734 0.81 HPGD (0.41) MAPTL3MBTL1MAPK1HTR1AADRA1A
SCHEMBL8939792 0.81 CYP1A2 (0.46) L3MBTL1DRD2LTA4HSMN1; SMN2
SCHEMBL8859963 0.81 LTA4H (0.44) HTR1ALTA4HADRA1DADRA1AADRA1B
SCHEMBL1190605 0.79 MAPT (0.52) MAPTL3MBTL1LIPEMAPK1TDP1
SCHEMBL510440 0.77 MAPT (0.50) MAPTL3MBTL1LIPEMAPK1TDP1
SCHEMBL7285309 0.77 MAPT (0.50) MAPTL3MBTL1LIPEMAPK1TDP1
SCHEMBL7293597 0.77 MAPT (0.59) MAPTL3MBTL1LIPEMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516797-A SUPPRESSING GRAFT REJECTION VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-05-14 US disclosed
US-5330993-A Immunosuppressive compounds VERTEX PHARMACEUTICALS, INC. (US) 1994-07-19 US disclosed