SCHEMBL3298136

SCHEMBL3298136

C[C](CC[C](C)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
NR4A2 P43354 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 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
SCHEMBL3281895 0.89 L3MBTL1 (0.44) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL816510 0.87 CES2 (0.54) CES1CES2L3MBTL1LMNAMAPT
SCHEMBL6027489 0.85 CES1 (0.39) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL1305408 0.83 ALDH1A1 (0.59) MAPK1HTTMAPTTDP1KMT2A
SCHEMBL820442 0.83 PTGS2 (0.59) CES1CES2KMT2AMEN1PTGS2
SCHEMBL3287793 0.82 CES1 (0.48) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL816636 0.81 CES2 (0.58) CES1CES2L3MBTL1LMNAMAPT
SCHEMBL453359 0.80 ATM (0.52) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL1254028 0.80 CES1 (0.44) CES1CES2L3MBTL1LMNAMAPK1
SCHEMBL5968483 0.79 CES2 (0.59) CES1CES2L3MBTL1LMNAMAPT

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
US-7705115-B2 Process for producing radiation-sensitive resin composition JSR CORPORATION (JP) 2010-04-27 US disclosed
US-20090081586-A1 PROCESS FOR PRODUCING RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-03-26 US disclosed
EP-1881371-A1 PROCESS FOR PRODUCING RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-01-23 EP disclosed