SCHEMBL3281895

SCHEMBL3281895

C[C](CCC[C](C)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ CES1 P23141 7/20 0.42
▸ CES2 O00748 6/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3298136 0.89 CES1 (0.46) L3MBTL1TDP1LMNAMAPTPTGS2
SCHEMBL820442 0.88 PTGS2 (0.59) PTGS2CES1CES2KMT2AMEN1
SCHEMBL816636 0.86 CES2 (0.58) L3MBTL1TDP1LMNAMAPTPTGS2
SCHEMBL5968483 0.84 CES2 (0.59) L3MBTL1TDP1LMNAMAPTPTGS2
SCHEMBL2761831 0.84 CES2 (0.59) L3MBTL1TDP1LMNAMAPTPTGS2
SCHEMBL4453742 0.84 CES2 (0.59) L3MBTL1TDP1LMNAMAPTPTGS2
SCHEMBL1581395 0.84 CES2 (0.59) L3MBTL1TDP1LMNAMAPTPTGS2
SCHEMBL815938 0.84 CES2 (0.59) L3MBTL1TDP1LMNAMAPTPTGS2
SCHEMBL5012485 0.84 TDP1 (0.60) TDP1MAPTMAPK1HDAC3HDAC4
SCHEMBL11494540 0.84 CES2 (0.59) L3MBTL1TDP1LMNAMAPTPTGS2

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
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