SCHEMBL7528565

SCHEMBL7528565

CC(C)CCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccc(C(C)(C)C)cc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.37
CTSL P07711 9/20 0.36
CTSB P07858 9/20 0.36
CTSS P25774 9/20 0.36
CTSK P43235 9/20 0.36
FAAH O00519 2/20 0.35
KMT2A Q03164 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
HSF1 Q00613 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
SCHEMBL7529863 0.82 TACR2 (0.38) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7535316 0.82 CTSL (0.40) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7535944 0.79 MAPT (0.42) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7533002 0.79 FAAH (0.38) TP53CTSLCTSSCTSKFAAH
SCHEMBL7530384 0.79 CTSL (0.47) SMN1; SMN2HPGDLMNAHTTTP53
SCHEMBL7530453 0.78 FBP1 (0.38) TP53CTSLCTSBCTSSCTSK
SCHEMBL7530295 0.78 FAAH (0.35) SMN1; SMN2LMNAHTTTP53CTSL
SCHEMBL7531161 0.77 CTSL (0.47) SMN1; SMN2LMNAHTTCTSLCTSB
SCHEMBL7532290 0.77 CTSS (0.58) SMN1; SMN2HPGDCTSLCTSBCTSS
SCHEMBL7532248 0.76 CTSL (0.47) SMN1; SMN2LMNACTSLCTSBCTSS

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