SCHEMBL6542228

SCHEMBL6542228

C#CC(OC)Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PKM P14618 1/20 0.30
THRB P10828 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL11403383 0.70 SMN1; SMN2 (0.38) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL9210090 0.68 L3MBTL1 (0.40) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL21253055 0.65 LMNA (0.44) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL8836724 0.65 L3MBTL1 (0.38) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL6545896 0.64 TDP1 (0.37) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL6987805 0.64 KMT2A (0.37) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL8692714 0.64 THRB (0.40) LMNATHRBCA4
SCHEMBL343269 0.63 SMN1; SMN2 (0.45) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL1453001 0.63 SMN1; SMN2 (0.45) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL5173197 0.63 SMN1; SMN2 (0.45) TDP1L3MBTL1LMNAMAPTSMN1; SMN2

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-1334095-A4 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2004-03-17 EP disclosed
EP-1334095-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD. (JP) 2003-08-13 EP disclosed
WO-2002032892-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD (JP) 2002-04-25 WO disclosed