SCHEMBL7528386

SCHEMBL7528386

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2cc(Cl)ccc2Cl)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
APLNR P35414 1/20 0.38
HSF1 Q00613 1/20 0.37
ERAP1 Q9NZ08 2/20 0.35
FAAH O00519 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CES1 P23141 1/20 0.35
CTSL P07711 2/20 0.35
CTSK P43235 2/20 0.35
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7530243 0.92 LMNA (0.40) HSF1ERAP1FAAHPOLBCES1
SCHEMBL7533002 0.83 FAAH (0.38) HSF1FAAHCES1CTSLCTSK
SCHEMBL7535944 0.81 MAPT (0.42) MAPTFAAHCES1CTSLCTSK
SCHEMBL7536589 0.81 SMN1; SMN2 (0.41) MAPTHSF1FAAHPOLBKDM4E
SCHEMBL7535316 0.81 CTSL (0.40) FAAHPOLBKDM4ECES1CTSL
SCHEMBL7531988 0.80 SLC6A5 (0.42) MAPTKDM4EL3MBTL1TP53TSHR
SCHEMBL7530453 0.80 FBP1 (0.38) MAPTPOLBCTSLCTSKCTSB
SCHEMBL7530295 0.80 FAAH (0.35) HSF1FAAHCES1CTSLCTSK
SCHEMBL7529863 0.79 TACR2 (0.38) HSF1FAAHCES1CTSLCTSK
SCHEMBL7530225 0.79 CTSS (0.46) MAPTAPLNRCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed