SCHEMBL13624828

SCHEMBL13624828

O=C(O)CCCC(=S)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.51
ABAT P80404 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 2/20 0.50
PPARA Q07869 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47

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
SCHEMBL11648412 0.86 MAPT (0.74) CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL11647122 0.82 MAPT (0.69) CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL11651372 0.81 MAPT (0.68) CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL3806017 0.81 MEN1 (0.73) CYP3A4CYP1A2CYP2D6L3MBTL1MEN1
Glutarate SCHEMBL9316643 0.81 NPC1 (0.53) CYP3A4CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL14431137 0.79 HSD17B10 (0.62) CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL6399270 0.78 HSD17B10 (0.53) CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL11672644 0.77 CA1 (0.68) L3MBTL1ABATMEN1KMT2AMAPT
SCHEMBL1060805 0.77 HDAC4 (0.73) CYP3A4CYP1A2CYP2D6L3MBTL1MEN1
SCHEMBL13997215 0.76 L3MBTL1 (0.59) CYP3A4L3MBTL1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406870-B1 TAXOL ENHANCER COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-11-11 EP disclosed
US-7435843-B2 Synthesis of taxol enhancers SYNTA PHARMACEUTICALS CORP. (US) 2008-10-14 US disclosed
US-7435843-B2 Synthesis of taxol enhancers SYNTA PHARMACEUTICALS CORP. (US) 2008-10-14 US disclosed
US-7368473-B2 Paclitaxel enhancer compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-05-06 US disclosed
US-7368473-B2 Paclitaxel enhancer compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-05-06 US disclosed