SCHEMBL6874233

SCHEMBL6874233

N#CCNC(=O)C(CNC(=O)c1cccc(NC(=O)O)c1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
PAX8 Q06710 1/20 0.40
ACKR3 P25106 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 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
SCHEMBL5528437 0.93 CTSL (0.48) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6590412 0.93 SMYD3 (0.46) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL5528527 0.89 CTSL (0.48) CTSLCTSBCTSSCTSKPKM
SCHEMBL5526266 0.89 CTSL (0.53) CTSLCTSBCTSSCTSKATM
SCHEMBL5525358 0.88 PRMT5 (0.51) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL5534377 0.88 CTSL (0.49) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL7562354 0.87 CTSL (0.48) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL5529205 0.86 PYGL (0.55) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL5525342 0.86 CTSL (0.60) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL5520691 0.86 CTSL (0.50) CTSLCTSBCTSSCTSKPKM

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
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed